1-[3-[(1-ethylcyclopentyl)methyl]phenyl]imino-4-[6-[3-[(1-ethylcyclopentyl)methyl]phenyl]-2-pyridinyl]-4-methylpent-2-en-3-amine

C39H51N3 — CID 140585367

IUPAC1-[3-[(1-ethylcyclopentyl)methyl]phenyl]imino-4-[6-[3-[(1-ethylcyclopentyl)methyl]phenyl]-2-pyridinyl]-4-methylpent-2-en-3-amine
SMILESCCC1(Cc2cccc(/N=C/C=C(N)C(C)(C)c3cccc(-c4cccc(CC5(CC)CCCC5)c4)n3)c2)CCCC1
InChIInChI=1S/C39H51N3/c1-5-38(21-7-8-22-38)28-30-14-11-16-32(26-30)34-18-13-19-36(42-34)37(3,4)35(40)20-25-41-33-17-12-15-31(27-33)29-39(6-2)23-9-10-24-39/h11-20,25-27H,5-10,21-24,28-29,40H2,1-4H3/b35-20?,41-25+
InChIKeyKDCCKZLQFCIOPH-KUQVXDLYSA-N
MW561.86 g/mol
LogP10.30
Rot. Bonds11

About 1-[3-[(1-ethylcyclopentyl)methyl]phenyl]imino-4-[6-[3-[(1-ethylcyclopentyl)methyl]phenyl]-2-pyridinyl]-4-methylpent-2-en-3-amine

1-[3-[(1-ethylcyclopentyl)methyl]phenyl]imino-4-[6-[3-[(1-ethylcyclopentyl)methyl]phenyl]-2-pyridinyl]-4-methylpent-2-en-3-amine (PubChem CID 140585367) has the molecular formula C39H51N3 and a molecular weight of 561.86 g/mol. Its IUPAC name is 1-[3-[(1-ethylcyclopentyl)methyl]phenyl]imino-4-[6-[3-[(1-ethylcyclopentyl)methyl]phenyl]-2-pyridinyl]-4-methylpent-2-en-3-amine.

Molecular Properties

Compound Name1-[3-[(1-ethylcyclopentyl)methyl]phenyl]imino-4-[6-[3-[(1-ethylcyclopentyl)methyl]phenyl]-2-pyridinyl]-4-methylpent-2-en-3-amine
PubChem CID140585367
Molecular FormulaC39H51N3
Molecular Weight561.86 g/mol
Exact Mass561.41
IUPAC Name1-[3-[(1-ethylcyclopentyl)methyl]phenyl]imino-4-[6-[3-[(1-ethylcyclopentyl)methyl]phenyl]-2-pyridinyl]-4-methylpent-2-en-3-amine
SMILESCCC1(Cc2cccc(/N=C/C=C(N)C(C)(C)c3cccc(-c4cccc(CC5(CC)CCCC5)c4)n3)c2)CCCC1
InChIInChI=1S/C39H51N3/c1-5-38(21-7-8-22-38)28-30-14-11-16-32(26-30)34-18-13-19-36(42-34)37(3,4)35(40)20-25-41-33-17-12-15-31(27-33)29-39(6-2)23-9-10-24-39/h11-20,25-27H,5-10,21-24,28-29,40H2,1-4H3/b35-20?,41-25+
InChIKeyKDCCKZLQFCIOPH-KUQVXDLYSA-N
XLogP10.30
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.86
LogP ≤ 510.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[3-[(1-ethylcyclopentyl)methyl]phenyl]imino-4-[6-[3-[(1-ethylcyclopentyl)methyl]phenyl]-2-pyridinyl]-4-methylpent-2-en-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-ethylcyclopentyl)methyl]phenyl]imino-4-[6-[3-[(1-ethylcyclopentyl)methyl]phenyl]-2-pyridinyl]-4-methylpent-2-en-3-amine?
The IUPAC name of 1-[3-[(1-ethylcyclopentyl)methyl]phenyl]imino-4-[6-[3-[(1-ethylcyclopentyl)methyl]phenyl]-2-pyridinyl]-4-methylpent-2-en-3-amine (CID 140585367) is 1-[3-[(1-ethylcyclopentyl)methyl]phenyl]imino-4-[6-[3-[(1-ethylcyclopentyl)methyl]phenyl]-2-pyridinyl]-4-methylpent-2-en-3-amine.
What is the SMILES notation for 1-[3-[(1-ethylcyclopentyl)methyl]phenyl]imino-4-[6-[3-[(1-ethylcyclopentyl)methyl]phenyl]-2-pyridinyl]-4-methylpent-2-en-3-amine?
The canonical SMILES for 1-[3-[(1-ethylcyclopentyl)methyl]phenyl]imino-4-[6-[3-[(1-ethylcyclopentyl)methyl]phenyl]-2-pyridinyl]-4-methylpent-2-en-3-amine is CCC1(Cc2cccc(/N=C/C=C(N)C(C)(C)c3cccc(-c4cccc(CC5(CC)CCCC5)c4)n3)c2)CCCC1.
What is the InChIKey of 1-[3-[(1-ethylcyclopentyl)methyl]phenyl]imino-4-[6-[3-[(1-ethylcyclopentyl)methyl]phenyl]-2-pyridinyl]-4-methylpent-2-en-3-amine?
The InChIKey is KDCCKZLQFCIOPH-KUQVXDLYSA-N. The full InChI is InChI=1S/C39H51N3/c1-5-38(21-7-8-22-38)28-30-14-11-16-32(26-30)34-18-13-19-36(42-34)37(3,4)35(40)20-25-41-33-17-12-15-31(27-33)29-39(6-2)23-9-10-24-39/h11-20,25-27H,5-10,21-24,28-29,40H2,1-4H3/b35-20?,41-25+.
What are the key properties of 1-[3-[(1-ethylcyclopentyl)methyl]phenyl]imino-4-[6-[3-[(1-ethylcyclopentyl)methyl]phenyl]-2-pyridinyl]-4-methylpent-2-en-3-amine?
1-[3-[(1-ethylcyclopentyl)methyl]phenyl]imino-4-[6-[3-[(1-ethylcyclopentyl)methyl]phenyl]-2-pyridinyl]-4-methylpent-2-en-3-amine has a molecular weight of 561.86 g/mol, XLogP of 10.30, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-ethylcyclopentyl)methyl]phenyl]imino-4-[6-[3-[(1-ethylcyclopentyl)methyl]phenyl]-2-pyridinyl]-4-methylpent-2-en-3-amine is sourced from PubChem (CID 140585367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).