1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine

C18H25N3 — CID 57086603

IUPAC1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine
SMILESCC(N)CCNCCC(c1ccccc1)c1ccccn1
InChIInChI=1S/C18H25N3/c1-15(19)10-13-20-14-11-17(16-7-3-2-4-8-16)18-9-5-6-12-21-18/h2-9,12,15,17,20H,10-11,13-14,19H2,1H3
InChIKeySUXQBAPOANIWQN-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.93
Rot. Bonds8

About 1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine

1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine (PubChem CID 57086603) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine
PubChem CID57086603
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine
SMILESCC(N)CCNCCC(c1ccccc1)c1ccccn1
InChIInChI=1S/C18H25N3/c1-15(19)10-13-20-14-11-17(16-7-3-2-4-8-16)18-9-5-6-12-21-18/h2-9,12,15,17,20H,10-11,13-14,19H2,1H3
InChIKeySUXQBAPOANIWQN-UHFFFAOYSA-N
XLogP2.93
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]hexane-1,5-diamine
CID 57132350
dimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium
CID 6954515
4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline
CID 138980750
3-(4-bromophenyl)-3-pyridin-2-yl-N-(trideuteriomethyl)propan-1-amine
CID 171379399
(4S)-4-phenyl-4-pyridin-2-ylbutanoic acid
CID 95562119
(3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
CID 125488138
4-(1H-imidazol-5-yl)-N-[3-(4-methylphenyl)-3-pyridin-2-ylpropyl]butan-1-amine
CID 118180240
N,N-dimethyl-2-phenyl-2-pyridin-2-ylethanamine;hydrochloride
CID 54610221
2-(4-ethyl-5,5-dimethyl-1-phenylhexyl)pyridine
CID 57295070
6-phenyl-6-pyridin-2-ylhexanenitrile
CID 138977587
(2S)-2-amino-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 93096974
4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride
CID 120564208

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine?
The IUPAC name of 1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine (CID 57086603) is 1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine?
The canonical SMILES for 1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine is CC(N)CCNCCC(c1ccccc1)c1ccccn1.
What is the InChIKey of 1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine?
The InChIKey is SUXQBAPOANIWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-15(19)10-13-20-14-11-17(16-7-3-2-4-8-16)18-9-5-6-12-21-18/h2-9,12,15,17,20H,10-11,13-14,19H2,1H3.
What are the key properties of 1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine?
1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine has a molecular weight of 283.42 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine is sourced from PubChem (CID 57086603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).