1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine

C18H38N2 — CID 67216091

IUPAC1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine
SMILESCCCC(CC)NC1CCCCC1NC(CC)CCC
InChIInChI=1S/C18H38N2/c1-5-11-15(7-3)19-17-13-9-10-14-18(17)20-16(8-4)12-6-2/h15-20H,5-14H2,1-4H3
InChIKeyFRDZCJLKUYDJIY-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.63
Rot. Bonds10

About 1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine

1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine (PubChem CID 67216091) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine
PubChem CID67216091
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine
SMILESCCCC(CC)NC1CCCCC1NC(CC)CCC
InChIInChI=1S/C18H38N2/c1-5-11-15(7-3)19-17-13-9-10-14-18(17)20-16(8-4)12-6-2/h15-20H,5-14H2,1-4H3
InChIKeyFRDZCJLKUYDJIY-UHFFFAOYSA-N
XLogP4.63
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-heptan-4-yl-2-methylcyclohexan-1-amine
CID 43097186
N-hexan-3-yl-2-piperidin-2-ylcyclohexan-1-amine
CID 79553740
N-hexan-3-ylcyclopropanamine
CID 103920845
N-heptan-4-yl-2-methylcyclopentan-1-amine
CID 63277449
2-(heptan-4-ylamino)cyclopentan-1-ol
CID 115677217
trans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol
CID 102731727
2-(pentan-3-ylamino)cyclohexane-1-carbonitrile
CID 62742381
N-heptan-4-yl-2-methylsulfanylcyclopentan-1-amine
CID 103729880
N-(1-cyclopropylbutan-2-yl)-2-ethylcyclohexan-1-amine
CID 63995128
2-methoxy-N-pentan-3-ylcyclohexan-1-amine
CID 3126341
1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine
CID 70316419
N-heptan-4-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752336

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine?
The IUPAC name of 1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine (CID 67216091) is 1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine is CCCC(CC)NC1CCCCC1NC(CC)CCC.
What is the InChIKey of 1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine?
The InChIKey is FRDZCJLKUYDJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-5-11-15(7-3)19-17-13-9-10-14-18(17)20-16(8-4)12-6-2/h15-20H,5-14H2,1-4H3.
What are the key properties of 1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine?
1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.63, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 67216091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).