3-imidazol-1-yl-N-prop-1-enylpropan-1-amine;N-methyl-2-phenylethenamine;N-methyl-3-phenylprop-1-en-1-amine;N-(2-phenylethyl)prop-1-en-1-amine;bis(N-(2-piperidin-1-ylethyl)prop-1-en-1-amine);hexakis(prop-1-ene);1-[3-(prop-1-enylamino)propyl]pyrrolidin-2-one;N-prop-1-enylaniline;N-(pyridin-2-ylmethyl)prop-1-en-1-amine;N-(pyridin-3-ylmethyl)prop-1-en-1-amine;N-[2-(4H-triazol-5-yl)ethyl]prop-1-en-1-amine

C121H195N21O — CID 159525692

IUPAC3-imidazol-1-yl-N-prop-1-enylpropan-1-amine;N-methyl-2-phenylethenamine;N-methyl-3-phenylprop-1-en-1-amine;N-(2-phenylethyl)prop-1-en-1-amine;bis(N-(2-piperidin-1-ylethyl)prop-1-en-1-amine);hexakis(prop-1-ene);1-[3-(prop-1-enylamino)propyl]pyrrolidin-2-one;N-prop-1-enylaniline;N-(pyridin-2-ylmethyl)prop-1-en-1-amine;N-(pyridin-3-ylmethyl)prop-1-en-1-amine;N-[2-(4H-triazol-5-yl)ethyl]prop-1-en-1-amine
SMILESC=CC.C=CC.C=CC.C=CC.C=CC.C=CC.CC=CNCCC1=NN=NC1.CC=CNCCCN1CCCC1=O.CC=CNCCCn1ccnc1.CC=CNCCN1CCCCC1.CC=CNCCN1CCCCC1.CC=CNCCc1ccccc1.CC=CNCc1ccccn1.CC=CNCc1cccnc1.CC=CNc1ccccc1.CNC=CCc1ccccc1.CNC=Cc1ccccc1
InChIInChI=1S/C11H15N.C10H18N2O.2C10H20N2.C10H13N.C9H15N3.2C9H12N2.2C9H11N.C7H12N4.6C3H6/c1-2-9-12-10-8-11-6-4-3-5-7-11;1-2-6-11-7-4-9-12-8-3-5-10(12)13;2*1-2-6-11-7-10-12-8-4-3-5-9-12;1-11-9-5-8-10-6-3-2-4-7-10;1-2-4-10-5-3-7-12-8-6-11-9-12;1-2-6-10-8-9-5-3-4-7-11-9;1-2-5-10-7-9-4-3-6-11-8-9;1-10-8-7-9-5-3-2-4-6-9;1-2-8-10-9-6-4-3-5-7-9;1-2-4-8-5-3-7-6-9-11-10-7;6*1-3-2/h2-7,9,12H,8,10H2,1H3;2,6,11H,3-5,7-9H2,1H3;2*2,6,11H,3-5,7-10H2,1H3;2-7,9,11H,8H2,1H3;2,4,6,8-10H,3,5,7H2,1H3;2-7,10H,8H2,1H3;2-6,8,10H,7H2,1H3;2*2-8,10H,1H3;2,4,8H,3,5-6H2,1H3;6*3H,1H2,2H3
InChIKeyMCIVCSLLTDPJEL-UHFFFAOYSA-N
MW1960.04 g/mol
LogP26.42
Rot. Bonds39

About 3-imidazol-1-yl-N-prop-1-enylpropan-1-amine;N-methyl-2-phenylethenamine;N-methyl-3-phenylprop-1-en-1-amine;N-(2-phenylethyl)prop-1-en-1-amine;bis(N-(2-piperidin-1-ylethyl)prop-1-en-1-amine);hexakis(prop-1-ene);1-[3-(prop-1-enylamino)propyl]pyrrolidin-2-one;N-prop-1-enylaniline;N-(pyridin-2-ylmethyl)prop-1-en-1-amine;N-(pyridin-3-ylmethyl)prop-1-en-1-amine;N-[2-(4H-triazol-5-yl)ethyl]prop-1-en-1-amine

3-imidazol-1-yl-N-prop-1-enylpropan-1-amine;N-methyl-2-phenylethenamine;N-methyl-3-phenylprop-1-en-1-amine;N-(2-phenylethyl)prop-1-en-1-amine;bis(N-(2-piperidin-1-ylethyl)prop-1-en-1-amine);hexakis(prop-1-ene);1-[3-(prop-1-enylamino)propyl]pyrrolidin-2-one;N-prop-1-enylaniline;N-(pyridin-2-ylmethyl)prop-1-en-1-amine;N-(pyridin-3-ylmethyl)prop-1-en-1-amine;N-[2-(4H-triazol-5-yl)ethyl]prop-1-en-1-amine (PubChem CID 159525692) has the molecular formula C121H195N21O and a molecular weight of 1960.04 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-prop-1-enylpropan-1-amine;N-methyl-2-phenylethenamine;N-methyl-3-phenylprop-1-en-1-amine;N-(2-phenylethyl)prop-1-en-1-amine;bis(N-(2-piperidin-1-ylethyl)prop-1-en-1-amine);hexakis(prop-1-ene);1-[3-(prop-1-enylamino)propyl]pyrrolidin-2-one;N-prop-1-enylaniline;N-(pyridin-2-ylmethyl)prop-1-en-1-amine;N-(pyridin-3-ylmethyl)prop-1-en-1-amine;N-[2-(4H-triazol-5-yl)ethyl]prop-1-en-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-prop-1-enylpropan-1-amine;N-methyl-2-phenylethenamine;N-methyl-3-phenylprop-1-en-1-amine;N-(2-phenylethyl)prop-1-en-1-amine;bis(N-(2-piperidin-1-ylethyl)prop-1-en-1-amine);hexakis(prop-1-ene);1-[3-(prop-1-enylamino)propyl]pyrrolidin-2-one;N-prop-1-enylaniline;N-(pyridin-2-ylmethyl)prop-1-en-1-amine;N-(pyridin-3-ylmethyl)prop-1-en-1-amine;N-[2-(4H-triazol-5-yl)ethyl]prop-1-en-1-amine
PubChem CID159525692
Molecular FormulaC121H195N21O
Molecular Weight1960.04 g/mol
Exact Mass1958.59
IUPAC Name3-imidazol-1-yl-N-prop-1-enylpropan-1-amine;N-methyl-2-phenylethenamine;N-methyl-3-phenylprop-1-en-1-amine;N-(2-phenylethyl)prop-1-en-1-amine;bis(N-(2-piperidin-1-ylethyl)prop-1-en-1-amine);hexakis(prop-1-ene);1-[3-(prop-1-enylamino)propyl]pyrrolidin-2-one;N-prop-1-enylaniline;N-(pyridin-2-ylmethyl)prop-1-en-1-amine;N-(pyridin-3-ylmethyl)prop-1-en-1-amine;N-[2-(4H-triazol-5-yl)ethyl]prop-1-en-1-amine
SMILESC=CC.C=CC.C=CC.C=CC.C=CC.C=CC.CC=CNCCC1=NN=NC1.CC=CNCCCN1CCCC1=O.CC=CNCCCn1ccnc1.CC=CNCCN1CCCCC1.CC=CNCCN1CCCCC1.CC=CNCCc1ccccc1.CC=CNCc1ccccn1.CC=CNCc1cccnc1.CC=CNc1ccccc1.CNC=CCc1ccccc1.CNC=Cc1ccccc1
InChIInChI=1S/C11H15N.C10H18N2O.2C10H20N2.C10H13N.C9H15N3.2C9H12N2.2C9H11N.C7H12N4.6C3H6/c1-2-9-12-10-8-11-6-4-3-5-7-11;1-2-6-11-7-4-9-12-8-3-5-10(12)13;2*1-2-6-11-7-10-12-8-4-3-5-9-12;1-11-9-5-8-10-6-3-2-4-7-10;1-2-4-10-5-3-7-12-8-6-11-9-12;1-2-6-10-8-9-5-3-4-7-11-9;1-2-5-10-7-9-4-3-6-11-8-9;1-10-8-7-9-5-3-2-4-6-9;1-2-8-10-9-6-4-3-5-7-9;1-2-4-8-5-3-7-6-9-11-10-7;6*1-3-2/h2-7,9,12H,8,10H2,1H3;2,6,11H,3-5,7-9H2,1H3;2*2,6,11H,3-5,7-10H2,1H3;2-7,9,11H,8H2,1H3;2,4,6,8-10H,3,5,7H2,1H3;2-7,10H,8H2,1H3;2-6,8,10H,7H2,1H3;2*2-8,10H,1H3;2,4,8H,3,5-6H2,1H3;6*3H,1H2,2H3
InChIKeyMCIVCSLLTDPJEL-UHFFFAOYSA-N
XLogP26.42
TPSA239.80 Ų
H-Bond Donors11
H-Bond Acceptors21
Rotatable Bonds39
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001960.04
LogP ≤ 526.42
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-imidazol-1-yl-N-prop-1-enylpropan-1-amine;N-methyl-2-phenylethenamine;N-methyl-3-phenylprop-1-en-1-amine;N-(2-phenylethyl)prop-1-en-1-amine;bis(N-(2-piperidin-1-ylethyl)prop-1-en-1-amine);hexakis(prop-1-ene);1-[3-(prop-1-enylamino)propyl]pyrrolidin-2-one;N-prop-1-enylaniline;N-(pyridin-2-ylmethyl)prop-1-en-1-amine;N-(pyridin-3-ylmethyl)prop-1-en-1-amine;N-[2-(4H-triazol-5-yl)ethyl]prop-1-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

1-acetyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide
CID 66836906
3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 122445553
4-[4-[6-(2-Fluoro-4-pyridinyl)-3-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]piperidin-1-yl]-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 132162070
4-[4-[6-(5-Fluoro-3-pyridinyl)-3-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]piperidin-1-yl]-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 132162072
4-[4-[6-(2-Fluoro-3-pyridinyl)-3-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]piperidin-1-yl]-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 132162074
4-[4-[6-(6-fluoro-3-pyridinyl)-3-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]piperidin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 132162215
4-[4-[6-(5-fluoro-3-pyridinyl)-3-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]piperidin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 138488005
1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 20882974
8-[6-[[8-(4-Methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-3-pyridinyl]-1,8-diazaspiro[4.5]decan-2-one
CID 90654470
3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 122445744
1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 20883130
2-(4-phenylpiperazin-1-yl)-N-[4-[3-[(4-phenylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]acetamide
CID 172458603

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-prop-1-enylpropan-1-amine;N-methyl-2-phenylethenamine;N-methyl-3-phenylprop-1-en-1-amine;N-(2-phenylethyl)prop-1-en-1-amine;bis(N-(2-piperidin-1-ylethyl)prop-1-en-1-amine);hexakis(prop-1-ene);1-[3-(prop-1-enylamino)propyl]pyrrolidin-2-one;N-prop-1-enylaniline;N-(pyridin-2-ylmethyl)prop-1-en-1-amine;N-(pyridin-3-ylmethyl)prop-1-en-1-amine;N-[2-(4H-triazol-5-yl)ethyl]prop-1-en-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-prop-1-enylpropan-1-amine;N-methyl-2-phenylethenamine;N-methyl-3-phenylprop-1-en-1-amine;N-(2-phenylethyl)prop-1-en-1-amine;bis(N-(2-piperidin-1-ylethyl)prop-1-en-1-amine);hexakis(prop-1-ene);1-[3-(prop-1-enylamino)propyl]pyrrolidin-2-one;N-prop-1-enylaniline;N-(pyridin-2-ylmethyl)prop-1-en-1-amine;N-(pyridin-3-ylmethyl)prop-1-en-1-amine;N-[2-(4H-triazol-5-yl)ethyl]prop-1-en-1-amine (CID 159525692) is 3-imidazol-1-yl-N-prop-1-enylpropan-1-amine;N-methyl-2-phenylethenamine;N-methyl-3-phenylprop-1-en-1-amine;N-(2-phenylethyl)prop-1-en-1-amine;bis(N-(2-piperidin-1-ylethyl)prop-1-en-1-amine);hexakis(prop-1-ene);1-[3-(prop-1-enylamino)propyl]pyrrolidin-2-one;N-prop-1-enylaniline;N-(pyridin-2-ylmethyl)prop-1-en-1-amine;N-(pyridin-3-ylmethyl)prop-1-en-1-amine;N-[2-(4H-triazol-5-yl)ethyl]prop-1-en-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-prop-1-enylpropan-1-amine;N-methyl-2-phenylethenamine;N-methyl-3-phenylprop-1-en-1-amine;N-(2-phenylethyl)prop-1-en-1-amine;bis(N-(2-piperidin-1-ylethyl)prop-1-en-1-amine);hexakis(prop-1-ene);1-[3-(prop-1-enylamino)propyl]pyrrolidin-2-one;N-prop-1-enylaniline;N-(pyridin-2-ylmethyl)prop-1-en-1-amine;N-(pyridin-3-ylmethyl)prop-1-en-1-amine;N-[2-(4H-triazol-5-yl)ethyl]prop-1-en-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-prop-1-enylpropan-1-amine;N-methyl-2-phenylethenamine;N-methyl-3-phenylprop-1-en-1-amine;N-(2-phenylethyl)prop-1-en-1-amine;bis(N-(2-piperidin-1-ylethyl)prop-1-en-1-amine);hexakis(prop-1-ene);1-[3-(prop-1-enylamino)propyl]pyrrolidin-2-one;N-prop-1-enylaniline;N-(pyridin-2-ylmethyl)prop-1-en-1-amine;N-(pyridin-3-ylmethyl)prop-1-en-1-amine;N-[2-(4H-triazol-5-yl)ethyl]prop-1-en-1-amine is C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.CC=CNCCC1=NN=NC1.CC=CNCCCN1CCCC1=O.CC=CNCCCn1ccnc1.CC=CNCCN1CCCCC1.CC=CNCCN1CCCCC1.CC=CNCCc1ccccc1.CC=CNCc1ccccn1.CC=CNCc1cccnc1.CC=CNc1ccccc1.CNC=CCc1ccccc1.CNC=Cc1ccccc1.
What is the InChIKey of 3-imidazol-1-yl-N-prop-1-enylpropan-1-amine;N-methyl-2-phenylethenamine;N-methyl-3-phenylprop-1-en-1-amine;N-(2-phenylethyl)prop-1-en-1-amine;bis(N-(2-piperidin-1-ylethyl)prop-1-en-1-amine);hexakis(prop-1-ene);1-[3-(prop-1-enylamino)propyl]pyrrolidin-2-one;N-prop-1-enylaniline;N-(pyridin-2-ylmethyl)prop-1-en-1-amine;N-(pyridin-3-ylmethyl)prop-1-en-1-amine;N-[2-(4H-triazol-5-yl)ethyl]prop-1-en-1-amine?
The InChIKey is MCIVCSLLTDPJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C10H18N2O.2C10H20N2.C10H13N.C9H15N3.2C9H12N2.2C9H11N.C7H12N4.6C3H6/c1-2-9-12-10-8-11-6-4-3-5-7-11;1-2-6-11-7-4-9-12-8-3-5-10(12)13;2*1-2-6-11-7-10-12-8-4-3-5-9-12;1-11-9-5-8-10-6-3-2-4-7-10;1-2-4-10-5-3-7-12-8-6-11-9-12;1-2-6-10-8-9-5-3-4-7-11-9;1-2-5-10-7-9-4-3-6-11-8-9;1-10-8-7-9-5-3-2-4-6-9;1-2-8-10-9-6-4-3-5-7-9;1-2-4-8-5-3-7-6-9-11-10-7;6*1-3-2/h2-7,9,12H,8,10H2,1H3;2,6,11H,3-5,7-9H2,1H3;2*2,6,11H,3-5,7-10H2,1H3;2-7,9,11H,8H2,1H3;2,4,6,8-10H,3,5,7H2,1H3;2-7,10H,8H2,1H3;2-6,8,10H,7H2,1H3;2*2-8,10H,1H3;2,4,8H,3,5-6H2,1H3;6*3H,1H2,2H3.
What are the key properties of 3-imidazol-1-yl-N-prop-1-enylpropan-1-amine;N-methyl-2-phenylethenamine;N-methyl-3-phenylprop-1-en-1-amine;N-(2-phenylethyl)prop-1-en-1-amine;bis(N-(2-piperidin-1-ylethyl)prop-1-en-1-amine);hexakis(prop-1-ene);1-[3-(prop-1-enylamino)propyl]pyrrolidin-2-one;N-prop-1-enylaniline;N-(pyridin-2-ylmethyl)prop-1-en-1-amine;N-(pyridin-3-ylmethyl)prop-1-en-1-amine;N-[2-(4H-triazol-5-yl)ethyl]prop-1-en-1-amine?
3-imidazol-1-yl-N-prop-1-enylpropan-1-amine;N-methyl-2-phenylethenamine;N-methyl-3-phenylprop-1-en-1-amine;N-(2-phenylethyl)prop-1-en-1-amine;bis(N-(2-piperidin-1-ylethyl)prop-1-en-1-amine);hexakis(prop-1-ene);1-[3-(prop-1-enylamino)propyl]pyrrolidin-2-one;N-prop-1-enylaniline;N-(pyridin-2-ylmethyl)prop-1-en-1-amine;N-(pyridin-3-ylmethyl)prop-1-en-1-amine;N-[2-(4H-triazol-5-yl)ethyl]prop-1-en-1-amine has a molecular weight of 1960.04 g/mol, XLogP of 26.42, 39 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-prop-1-enylpropan-1-amine;N-methyl-2-phenylethenamine;N-methyl-3-phenylprop-1-en-1-amine;N-(2-phenylethyl)prop-1-en-1-amine;bis(N-(2-piperidin-1-ylethyl)prop-1-en-1-amine);hexakis(prop-1-ene);1-[3-(prop-1-enylamino)propyl]pyrrolidin-2-one;N-prop-1-enylaniline;N-(pyridin-2-ylmethyl)prop-1-en-1-amine;N-(pyridin-3-ylmethyl)prop-1-en-1-amine;N-[2-(4H-triazol-5-yl)ethyl]prop-1-en-1-amine is sourced from PubChem (CID 159525692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).