1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine;N-prop-2-enylprop-1-en-2-amine

C24H37N5 — CID 171644270

IUPAC1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine;N-prop-2-enylprop-1-en-2-amine
SMILESC=C(NCc1cc2cc(C)ccc2[nH]1)NC1CCCN(C)C1.C=CCNC(=C)C
InChIInChI=1S/C18H26N4.C6H11N/c1-13-6-7-18-15(9-13)10-17(21-18)11-19-14(2)20-16-5-4-8-22(3)12-16;1-4-5-7-6(2)3/h6-7,9-10,16,19-21H,2,4-5,8,11-12H2,1,3H3;4,7H,1-2,5H2,3H3
InChIKeyPTMRAEDOUUEUOZ-UHFFFAOYSA-N
MW395.60 g/mol
LogP4.02
Rot. Bonds8

About 1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine;N-prop-2-enylprop-1-en-2-amine

1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine;N-prop-2-enylprop-1-en-2-amine (PubChem CID 171644270) has the molecular formula C24H37N5 and a molecular weight of 395.60 g/mol. Its IUPAC name is 1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine;N-prop-2-enylprop-1-en-2-amine.

Molecular Properties

Compound Name1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine;N-prop-2-enylprop-1-en-2-amine
PubChem CID171644270
Molecular FormulaC24H37N5
Molecular Weight395.60 g/mol
Exact Mass395.30
IUPAC Name1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine;N-prop-2-enylprop-1-en-2-amine
SMILESC=C(NCc1cc2cc(C)ccc2[nH]1)NC1CCCN(C)C1.C=CCNC(=C)C
InChIInChI=1S/C18H26N4.C6H11N/c1-13-6-7-18-15(9-13)10-17(21-18)11-19-14(2)20-16-5-4-8-22(3)12-16;1-4-5-7-6(2)3/h6-7,9-10,16,19-21H,2,4-5,8,11-12H2,1,3H3;4,7H,1-2,5H2,3H3
InChIKeyPTMRAEDOUUEUOZ-UHFFFAOYSA-N
XLogP4.02
TPSA55.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.60
LogP ≤ 54.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethenylcyclopentane;1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine
CID 171643867
ethenylcyclohexane;1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine
CID 171643967
ethane;hexa-1,5-diene;1-N-[(5-methoxy-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine
CID 171644486
1-N-[(5-chloro-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine;prop-2-enylcyclobutane
CID 171644239
N-amino-N'-[1-[3-[1-[(5-methyl-1H-indol-2-yl)methylamino]ethenylamino]piperidin-1-yl]ethenyl]methanimidamide
CID 171644166
(2R)-1-(1-aminoethenyl)-5-N-[1-[(5-methyl-1H-indol-2-yl)methylamino]ethenyl]piperidine-2,5-diamine
CID 171644561
1-N'-[2-[3-[1-[(5-chloro-1H-indol-2-yl)methylamino]ethenylamino]piperidin-1-yl]prop-2-enyl]-1-N-methylethene-1,1-diamine
CID 171643942
1-N-[[5-(aminomethyl)-1H-indol-2-yl]methyl]-1-N'-(1-ethenylpiperidin-3-yl)ethene-1,1-diamine;methanamine
CID 171644507
1-N'-(1-but-1-en-2-ylpiperidin-3-yl)-1-N-[(5-chloro-1H-indol-2-yl)methyl]ethene-1,1-diamine
CID 171644323
1-N-[(5-chloro-1H-indol-2-yl)methyl]-1-N'-[1-[1-(cyclobutylamino)ethenyl]piperidin-3-yl]ethene-1,1-diamine
CID 171644016
1-N-[(5-chloro-1H-indol-2-yl)methyl]-1-N'-[1-(1-piperidin-2-ylethenyl)piperidin-3-yl]ethene-1,1-diamine
CID 171644608
1-N-[(5-chloro-1H-indol-2-yl)methyl]-1-N'-[1-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperidin-3-yl]ethene-1,1-diamine
CID 171644406

Frequently Asked Questions

What is the IUPAC name of 1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine;N-prop-2-enylprop-1-en-2-amine?
The IUPAC name of 1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine;N-prop-2-enylprop-1-en-2-amine (CID 171644270) is 1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine;N-prop-2-enylprop-1-en-2-amine.
What is the SMILES notation for 1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine;N-prop-2-enylprop-1-en-2-amine?
The canonical SMILES for 1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine;N-prop-2-enylprop-1-en-2-amine is C=C(NCc1cc2cc(C)ccc2[nH]1)NC1CCCN(C)C1.C=CCNC(=C)C.
What is the InChIKey of 1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine;N-prop-2-enylprop-1-en-2-amine?
The InChIKey is PTMRAEDOUUEUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4.C6H11N/c1-13-6-7-18-15(9-13)10-17(21-18)11-19-14(2)20-16-5-4-8-22(3)12-16;1-4-5-7-6(2)3/h6-7,9-10,16,19-21H,2,4-5,8,11-12H2,1,3H3;4,7H,1-2,5H2,3H3.
What are the key properties of 1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine;N-prop-2-enylprop-1-en-2-amine?
1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine;N-prop-2-enylprop-1-en-2-amine has a molecular weight of 395.60 g/mol, XLogP of 4.02, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine;N-prop-2-enylprop-1-en-2-amine is sourced from PubChem (CID 171644270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).