1-N,3-N-dicyclohexylbenzene-1,3-diamine

C18H28N2 — CID 19708208

IUPAC1-N,3-N-dicyclohexylbenzene-1,3-diamine
SMILESc1cc(NC2CCCCC2)cc(NC2CCCCC2)c1
InChIInChI=1S/C18H28N2/c1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16/h7,12-16,19-20H,1-6,8-11H2
InChIKeyIRCKYYPETYCQBQ-UHFFFAOYSA-N
MW272.44 g/mol
LogP5.18
Rot. Bonds4

About 1-N,3-N-dicyclohexylbenzene-1,3-diamine

1-N,3-N-dicyclohexylbenzene-1,3-diamine (PubChem CID 19708208) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-N,3-N-dicyclohexylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-dicyclohexylbenzene-1,3-diamine
PubChem CID19708208
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-N,3-N-dicyclohexylbenzene-1,3-diamine
SMILESc1cc(NC2CCCCC2)cc(NC2CCCCC2)c1
InChIInChI=1S/C18H28N2/c1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16/h7,12-16,19-20H,1-6,8-11H2
InChIKeyIRCKYYPETYCQBQ-UHFFFAOYSA-N
XLogP5.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dicyclohexylbenzene-1,3-diamine?
The IUPAC name of 1-N,3-N-dicyclohexylbenzene-1,3-diamine (CID 19708208) is 1-N,3-N-dicyclohexylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-dicyclohexylbenzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-dicyclohexylbenzene-1,3-diamine is c1cc(NC2CCCCC2)cc(NC2CCCCC2)c1.
What is the InChIKey of 1-N,3-N-dicyclohexylbenzene-1,3-diamine?
The InChIKey is IRCKYYPETYCQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16/h7,12-16,19-20H,1-6,8-11H2.
What are the key properties of 1-N,3-N-dicyclohexylbenzene-1,3-diamine?
1-N,3-N-dicyclohexylbenzene-1,3-diamine has a molecular weight of 272.44 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dicyclohexylbenzene-1,3-diamine is sourced from PubChem (CID 19708208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).