N'-(1-phenylcyclohexyl)pentane-1,5-diamine

C17H28N2 — CID 10377927

IUPACN'-(1-phenylcyclohexyl)pentane-1,5-diamine
SMILESNCCCCCNC1(c2ccccc2)CCCCC1
InChIInChI=1S/C17H28N2/c18-14-8-3-9-15-19-17(12-6-2-7-13-17)16-10-4-1-5-11-16/h1,4-5,10-11,19H,2-3,6-9,12-15,18H2
InChIKeyOKTBCPWVSCKWIW-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.56
Rot. Bonds7

About N'-(1-phenylcyclohexyl)pentane-1,5-diamine

N'-(1-phenylcyclohexyl)pentane-1,5-diamine (PubChem CID 10377927) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N'-(1-phenylcyclohexyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(1-phenylcyclohexyl)pentane-1,5-diamine
PubChem CID10377927
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN'-(1-phenylcyclohexyl)pentane-1,5-diamine
SMILESNCCCCCNC1(c2ccccc2)CCCCC1
InChIInChI=1S/C17H28N2/c18-14-8-3-9-15-19-17(12-6-2-7-13-17)16-10-4-1-5-11-16/h1,4-5,10-11,19H,2-3,6-9,12-15,18H2
InChIKeyOKTBCPWVSCKWIW-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1-phenylcyclohexyl)pentane-1,5-diamine?
The IUPAC name of N'-(1-phenylcyclohexyl)pentane-1,5-diamine (CID 10377927) is N'-(1-phenylcyclohexyl)pentane-1,5-diamine.
What is the SMILES notation for N'-(1-phenylcyclohexyl)pentane-1,5-diamine?
The canonical SMILES for N'-(1-phenylcyclohexyl)pentane-1,5-diamine is NCCCCCNC1(c2ccccc2)CCCCC1.
What is the InChIKey of N'-(1-phenylcyclohexyl)pentane-1,5-diamine?
The InChIKey is OKTBCPWVSCKWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c18-14-8-3-9-15-19-17(12-6-2-7-13-17)16-10-4-1-5-11-16/h1,4-5,10-11,19H,2-3,6-9,12-15,18H2.
What are the key properties of N'-(1-phenylcyclohexyl)pentane-1,5-diamine?
N'-(1-phenylcyclohexyl)pentane-1,5-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-phenylcyclohexyl)pentane-1,5-diamine is sourced from PubChem (CID 10377927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).