4-pentyl-1-N,1-N'-diphenylcyclohexane-1,1-diamine

C23H32N2 — CID 57169431

IUPAC4-pentyl-1-N,1-N'-diphenylcyclohexane-1,1-diamine
SMILESCCCCCC1CCC(Nc2ccccc2)(Nc2ccccc2)CC1
InChIInChI=1S/C23H32N2/c1-2-3-6-11-20-16-18-23(19-17-20,24-21-12-7-4-8-13-21)25-22-14-9-5-10-15-22/h4-5,7-10,12-15,20,24-25H,2-3,6,11,16-19H2,1H3
InChIKeyHSLXHAZGKLCSBC-UHFFFAOYSA-N
MW336.52 g/mol
LogP6.68
Rot. Bonds8

About 4-pentyl-1-N,1-N'-diphenylcyclohexane-1,1-diamine

4-pentyl-1-N,1-N'-diphenylcyclohexane-1,1-diamine (PubChem CID 57169431) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 4-pentyl-1-N,1-N'-diphenylcyclohexane-1,1-diamine.

Molecular Properties

Compound Name4-pentyl-1-N,1-N'-diphenylcyclohexane-1,1-diamine
PubChem CID57169431
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC Name4-pentyl-1-N,1-N'-diphenylcyclohexane-1,1-diamine
SMILESCCCCCC1CCC(Nc2ccccc2)(Nc2ccccc2)CC1
InChIInChI=1S/C23H32N2/c1-2-3-6-11-20-16-18-23(19-17-20,24-21-12-7-4-8-13-21)25-22-14-9-5-10-15-22/h4-5,7-10,12-15,20,24-25H,2-3,6,11,16-19H2,1H3
InChIKeyHSLXHAZGKLCSBC-UHFFFAOYSA-N
XLogP6.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]aniline
CID 158118284
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CID 63521307
1-[4-hexyl-1-(2-methylphenyl)cyclohexyl]-2-methylbenzene
CID 22420537
N-[(1-benzyl-4-butylcyclohexyl)methyl]propan-1-amine
CID 63522017
1-(anilinomethyl)-4-propylcyclohexan-1-ol
CID 114999848
(4-pentylcyclohexyl)methoxysulfanylbenzene
CID 19993165
hexane;pentylcyclopropane
CID 159592467
1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene
CID 173398550
1-(8-cyclopentyloctoxy)-2-nonoxybenzene
CID 173313671
1-bromo-2-(4-pentylcyclohexyl)benzene
CID 68659349
(4-hexylcyclohexyl)methoxybenzene
CID 57019623
3,11-diheptyldispiro[5.1.58.16]tetradecane
CID 18633606

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-1-N,1-N'-diphenylcyclohexane-1,1-diamine?
The IUPAC name of 4-pentyl-1-N,1-N'-diphenylcyclohexane-1,1-diamine (CID 57169431) is 4-pentyl-1-N,1-N'-diphenylcyclohexane-1,1-diamine.
What is the SMILES notation for 4-pentyl-1-N,1-N'-diphenylcyclohexane-1,1-diamine?
The canonical SMILES for 4-pentyl-1-N,1-N'-diphenylcyclohexane-1,1-diamine is CCCCCC1CCC(Nc2ccccc2)(Nc2ccccc2)CC1.
What is the InChIKey of 4-pentyl-1-N,1-N'-diphenylcyclohexane-1,1-diamine?
The InChIKey is HSLXHAZGKLCSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2/c1-2-3-6-11-20-16-18-23(19-17-20,24-21-12-7-4-8-13-21)25-22-14-9-5-10-15-22/h4-5,7-10,12-15,20,24-25H,2-3,6,11,16-19H2,1H3.
What are the key properties of 4-pentyl-1-N,1-N'-diphenylcyclohexane-1,1-diamine?
4-pentyl-1-N,1-N'-diphenylcyclohexane-1,1-diamine has a molecular weight of 336.52 g/mol, XLogP of 6.68, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-1-N,1-N'-diphenylcyclohexane-1,1-diamine is sourced from PubChem (CID 57169431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).