4-(3-amino-1-phenylpropyl)pyridine-2,3,6-triamine;5-phenylpentan-1-ol

C25H35N5O — CID 145371838

IUPAC4-(3-amino-1-phenylpropyl)pyridine-2,3,6-triamine;5-phenylpentan-1-ol
SMILESNCCC(c1ccccc1)c1cc(N)nc(N)c1N.OCCCCCc1ccccc1
InChIInChI=1S/C14H19N5.C11H16O/c15-7-6-10(9-4-2-1-3-5-9)11-8-12(16)19-14(18)13(11)17;12-10-6-2-5-9-11-7-3-1-4-8-11/h1-5,8,10H,6-7,15,17H2,(H4,16,18,19);1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyJSMSEBCZWXGGDI-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.70
Rot. Bonds9

About 4-(3-amino-1-phenylpropyl)pyridine-2,3,6-triamine;5-phenylpentan-1-ol

4-(3-amino-1-phenylpropyl)pyridine-2,3,6-triamine;5-phenylpentan-1-ol (PubChem CID 145371838) has the molecular formula C25H35N5O and a molecular weight of 421.59 g/mol. Its IUPAC name is 4-(3-amino-1-phenylpropyl)pyridine-2,3,6-triamine;5-phenylpentan-1-ol.

Molecular Properties

Compound Name4-(3-amino-1-phenylpropyl)pyridine-2,3,6-triamine;5-phenylpentan-1-ol
PubChem CID145371838
Molecular FormulaC25H35N5O
Molecular Weight421.59 g/mol
Exact Mass421.28
IUPAC Name4-(3-amino-1-phenylpropyl)pyridine-2,3,6-triamine;5-phenylpentan-1-ol
SMILESNCCC(c1ccccc1)c1cc(N)nc(N)c1N.OCCCCCc1ccccc1
InChIInChI=1S/C14H19N5.C11H16O/c15-7-6-10(9-4-2-1-3-5-9)11-8-12(16)19-14(18)13(11)17;12-10-6-2-5-9-11-7-3-1-4-8-11/h1-5,8,10H,6-7,15,17H2,(H4,16,18,19);1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyJSMSEBCZWXGGDI-UHFFFAOYSA-N
XLogP3.70
TPSA137.20 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-Phenyl-3-phenyldiazenylpyridine-2,6-diamine
CID 178312609
4-[1-(2-Fluorophenyl)-2-phenylethyl]pyridine-2,3,6-triamine
CID 130450743
4-[1-Phenyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyridine-2,3,6-triamine
CID 145371800
3-Phenyl-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
CID 132478351
4-[(6-Fluoro-2-pyridinyl)amino]-3-phenylbutan-1-ol
CID 132478503
2-[3-[3-[[(2-Amino-3-pyridinyl)amino]methyl]phenyl]phenyl]ethanol
CID 11551485
[3-[3-[[(2-Amino-3-pyridinyl)amino]methyl]phenyl]phenyl]methanol
CID 11565745
2-{4-[(3-Amino-4,6-dimethyl-2-pyridinyl)amino]phenyl}ethanol
CID 21875992
4-[(6-Amino-4-benzyl-2-pyridinyl)amino]cyclohexan-1-ol
CID 68233475
[4-[1-(6-Amino-2-pyridinyl)-2-phenylethyl]phenyl]methanol
CID 68365842
6-(1-Amino-2-phenylethyl)-4-phenylpyridin-2-amine
CID 69197844
3-[4-[(3-Amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-1-ol
CID 70010735

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1-phenylpropyl)pyridine-2,3,6-triamine;5-phenylpentan-1-ol?
The IUPAC name of 4-(3-amino-1-phenylpropyl)pyridine-2,3,6-triamine;5-phenylpentan-1-ol (CID 145371838) is 4-(3-amino-1-phenylpropyl)pyridine-2,3,6-triamine;5-phenylpentan-1-ol.
What is the SMILES notation for 4-(3-amino-1-phenylpropyl)pyridine-2,3,6-triamine;5-phenylpentan-1-ol?
The canonical SMILES for 4-(3-amino-1-phenylpropyl)pyridine-2,3,6-triamine;5-phenylpentan-1-ol is NCCC(c1ccccc1)c1cc(N)nc(N)c1N.OCCCCCc1ccccc1.
What is the InChIKey of 4-(3-amino-1-phenylpropyl)pyridine-2,3,6-triamine;5-phenylpentan-1-ol?
The InChIKey is JSMSEBCZWXGGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5.C11H16O/c15-7-6-10(9-4-2-1-3-5-9)11-8-12(16)19-14(18)13(11)17;12-10-6-2-5-9-11-7-3-1-4-8-11/h1-5,8,10H,6-7,15,17H2,(H4,16,18,19);1,3-4,7-8,12H,2,5-6,9-10H2.
What are the key properties of 4-(3-amino-1-phenylpropyl)pyridine-2,3,6-triamine;5-phenylpentan-1-ol?
4-(3-amino-1-phenylpropyl)pyridine-2,3,6-triamine;5-phenylpentan-1-ol has a molecular weight of 421.59 g/mol, XLogP of 3.70, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1-phenylpropyl)pyridine-2,3,6-triamine;5-phenylpentan-1-ol is sourced from PubChem (CID 145371838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).