(Z)-3-(1-pentylpyrrolidin-3-yl)oxy-1-phenylprop-1-ene-1,2-diamine

C18H29N3O — CID 143813391

IUPAC(Z)-3-(1-pentylpyrrolidin-3-yl)oxy-1-phenylprop-1-ene-1,2-diamine
SMILESCCCCCN1CCC(OC/C(N)=C(/N)c2ccccc2)C1
InChIInChI=1S/C18H29N3O/c1-2-3-7-11-21-12-10-16(13-21)22-14-17(19)18(20)15-8-5-4-6-9-15/h4-6,8-9,16H,2-3,7,10-14,19-20H2,1H3/b18-17-
InChIKeyIPCGBVPGILRSSD-ZCXUNETKSA-N
MW303.45 g/mol
LogP2.55
Rot. Bonds8

About (Z)-3-(1-pentylpyrrolidin-3-yl)oxy-1-phenylprop-1-ene-1,2-diamine

(Z)-3-(1-pentylpyrrolidin-3-yl)oxy-1-phenylprop-1-ene-1,2-diamine (PubChem CID 143813391) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is (Z)-3-(1-pentylpyrrolidin-3-yl)oxy-1-phenylprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-3-(1-pentylpyrrolidin-3-yl)oxy-1-phenylprop-1-ene-1,2-diamine
PubChem CID143813391
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name(Z)-3-(1-pentylpyrrolidin-3-yl)oxy-1-phenylprop-1-ene-1,2-diamine
SMILESCCCCCN1CCC(OC/C(N)=C(/N)c2ccccc2)C1
InChIInChI=1S/C18H29N3O/c1-2-3-7-11-21-12-10-16(13-21)22-14-17(19)18(20)15-8-5-4-6-9-15/h4-6,8-9,16H,2-3,7,10-14,19-20H2,1H3/b18-17-
InChIKeyIPCGBVPGILRSSD-ZCXUNETKSA-N
XLogP2.55
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S,4R)-1-benzyl-4-methoxypyrrolidin-2-yl]methanamine
CID 132398984
carbon monoxide;[(E)-1-ethoxy-3-phenyl-3-pyrrolidin-1-ylprop-2-enylidene]chromium
CID 135004183
rac-[(3R,4S)-1-benzyl-4-ethoxypyrrolidin-3-yl]methanamine, trans
CID 121553314
3-[3-(4-Fluorophenyl)prop-2-enoxy]-1-propylpyrrolidine
CID 69113526
4-(2-Fluorophenyl)-1-methylidene-5-(pyrrolidin-3-yloxymethyl)triazol-1-ium
CID 123179766
(Z)-1-(3-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-2-hydrazinylprop-1-en-1-amine
CID 126733170
1-(4-fluorophenyl)-4-(3-methoxy-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine
CID 140969173
(Z)-3-(1-benzylpyrrolidin-3-yl)oxy-1-(2-fluorophenyl)-2-hydrazinylprop-1-en-1-amine
CID 143813376
4-(2-fluorophenyl)-5-(pyrrolidin-3-yloxymethyl)-1H-triazol-1-ium
CID 148915585
N-ethyl-1-(2-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-amine
CID 103538864
N-ethyl-1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-amine
CID 103538885
1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-propylpropan-1-amine
CID 103538886

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-pentylpyrrolidin-3-yl)oxy-1-phenylprop-1-ene-1,2-diamine?
The IUPAC name of (Z)-3-(1-pentylpyrrolidin-3-yl)oxy-1-phenylprop-1-ene-1,2-diamine (CID 143813391) is (Z)-3-(1-pentylpyrrolidin-3-yl)oxy-1-phenylprop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-3-(1-pentylpyrrolidin-3-yl)oxy-1-phenylprop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-3-(1-pentylpyrrolidin-3-yl)oxy-1-phenylprop-1-ene-1,2-diamine is CCCCCN1CCC(OC/C(N)=C(/N)c2ccccc2)C1.
What is the InChIKey of (Z)-3-(1-pentylpyrrolidin-3-yl)oxy-1-phenylprop-1-ene-1,2-diamine?
The InChIKey is IPCGBVPGILRSSD-ZCXUNETKSA-N. The full InChI is InChI=1S/C18H29N3O/c1-2-3-7-11-21-12-10-16(13-21)22-14-17(19)18(20)15-8-5-4-6-9-15/h4-6,8-9,16H,2-3,7,10-14,19-20H2,1H3/b18-17-.
What are the key properties of (Z)-3-(1-pentylpyrrolidin-3-yl)oxy-1-phenylprop-1-ene-1,2-diamine?
(Z)-3-(1-pentylpyrrolidin-3-yl)oxy-1-phenylprop-1-ene-1,2-diamine has a molecular weight of 303.45 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-pentylpyrrolidin-3-yl)oxy-1-phenylprop-1-ene-1,2-diamine is sourced from PubChem (CID 143813391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).