1-cyclohexylpropane-1,2-diamine

C9H20N2 — CID 20574714

IUPAC1-cyclohexylpropane-1,2-diamine
SMILESCC(N)C(N)C1CCCCC1
InChIInChI=1S/C9H20N2/c1-7(10)9(11)8-5-3-2-4-6-8/h7-9H,2-6,10-11H2,1H3
InChIKeyDZXPVTRPJUYHRK-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.24
Rot. Bonds2

About 1-cyclohexylpropane-1,2-diamine

1-cyclohexylpropane-1,2-diamine (PubChem CID 20574714) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-cyclohexylpropane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexylpropane-1,2-diamine
PubChem CID20574714
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-cyclohexylpropane-1,2-diamine
SMILESCC(N)C(N)C1CCCCC1
InChIInChI=1S/C9H20N2/c1-7(10)9(11)8-5-3-2-4-6-8/h7-9H,2-6,10-11H2,1H3
InChIKeyDZXPVTRPJUYHRK-UHFFFAOYSA-N
XLogP1.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutylpropane-1,2-diamine
CID 116932568
(2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride
CID 126622776
1,3-diamino-1,3-dicyclohexylpropan-2-ol
CID 140971393
1-amino-1-cyclohexylpropane-2-sulfonamide
CID 174660320
1-cyclohexyl-3,3-dimethylbutane-1,2-diamine
CID 85238914
1-cyclohexyl-1-N-methylpropane-1,2-diamine
CID 116948168
1-amino-1-cyclobutylpropan-2-ol
CID 55295141
(1R,2S)-1-amino-1-cyclobutylpropan-2-ol
CID 55295105
methane;propan-2-ylcyclotetradecane
CID 159882779
cycloheptyl(cyclohexyl)methanamine
CID 65399873
1-cyclopentylethylcyclohexane
CID 57034702
ethane;methane;propan-2-ylcyclohexane
CID 169430642

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpropane-1,2-diamine?
The IUPAC name of 1-cyclohexylpropane-1,2-diamine (CID 20574714) is 1-cyclohexylpropane-1,2-diamine.
What is the SMILES notation for 1-cyclohexylpropane-1,2-diamine?
The canonical SMILES for 1-cyclohexylpropane-1,2-diamine is CC(N)C(N)C1CCCCC1.
What is the InChIKey of 1-cyclohexylpropane-1,2-diamine?
The InChIKey is DZXPVTRPJUYHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-7(10)9(11)8-5-3-2-4-6-8/h7-9H,2-6,10-11H2,1H3.
What are the key properties of 1-cyclohexylpropane-1,2-diamine?
1-cyclohexylpropane-1,2-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpropane-1,2-diamine is sourced from PubChem (CID 20574714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).