1,2-di(cyclohexylidene)hexane-1,6-diamine

C18H32N2 — CID 87192238

IUPAC1,2-di(cyclohexylidene)hexane-1,6-diamine
SMILESNCCCCC(=C1CCCCC1)C(N)=C1CCCCC1
InChIInChI=1S/C18H32N2/c19-14-8-7-13-17(15-9-3-1-4-10-15)18(20)16-11-5-2-6-12-16/h1-14,19-20H2
InChIKeyXTSFLUOCGQUUQG-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.55
Rot. Bonds5

About 1,2-di(cyclohexylidene)hexane-1,6-diamine

1,2-di(cyclohexylidene)hexane-1,6-diamine (PubChem CID 87192238) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1,2-di(cyclohexylidene)hexane-1,6-diamine.

Molecular Properties

Compound Name1,2-di(cyclohexylidene)hexane-1,6-diamine
PubChem CID87192238
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1,2-di(cyclohexylidene)hexane-1,6-diamine
SMILESNCCCCC(=C1CCCCC1)C(N)=C1CCCCC1
InChIInChI=1S/C18H32N2/c19-14-8-7-13-17(15-9-3-1-4-10-15)18(20)16-11-5-2-6-12-16/h1-14,19-20H2
InChIKeyXTSFLUOCGQUUQG-UHFFFAOYSA-N
XLogP4.55
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.55
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 1,2-di(cyclohexylidene)hexane-1,6-diamine?
The IUPAC name of 1,2-di(cyclohexylidene)hexane-1,6-diamine (CID 87192238) is 1,2-di(cyclohexylidene)hexane-1,6-diamine.
What is the SMILES notation for 1,2-di(cyclohexylidene)hexane-1,6-diamine?
The canonical SMILES for 1,2-di(cyclohexylidene)hexane-1,6-diamine is NCCCCC(=C1CCCCC1)C(N)=C1CCCCC1.
What is the InChIKey of 1,2-di(cyclohexylidene)hexane-1,6-diamine?
The InChIKey is XTSFLUOCGQUUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c19-14-8-7-13-17(15-9-3-1-4-10-15)18(20)16-11-5-2-6-12-16/h1-14,19-20H2.
What are the key properties of 1,2-di(cyclohexylidene)hexane-1,6-diamine?
1,2-di(cyclohexylidene)hexane-1,6-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(cyclohexylidene)hexane-1,6-diamine is sourced from PubChem (CID 87192238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).