1-butylcyclohexane-1,2-diamine;dihydrochloride

C10H24Cl2N2 — CID 174736992

IUPAC1-butylcyclohexane-1,2-diamine;dihydrochloride
SMILESCCCCC1(N)CCCCC1N.Cl.Cl
InChIInChI=1S/C10H22N2.2ClH/c1-2-3-7-10(12)8-5-4-6-9(10)11;;/h9H,2-8,11-12H2,1H3;2*1H
InChIKeyOWRISTJCUKNJQE-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.62
Rot. Bonds3

About 1-butylcyclohexane-1,2-diamine;dihydrochloride

1-butylcyclohexane-1,2-diamine;dihydrochloride (PubChem CID 174736992) has the molecular formula C10H24Cl2N2 and a molecular weight of 243.22 g/mol. Its IUPAC name is 1-butylcyclohexane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name1-butylcyclohexane-1,2-diamine;dihydrochloride
PubChem CID174736992
Molecular FormulaC10H24Cl2N2
Molecular Weight243.22 g/mol
Exact Mass242.13
IUPAC Name1-butylcyclohexane-1,2-diamine;dihydrochloride
SMILESCCCCC1(N)CCCCC1N.Cl.Cl
InChIInChI=1S/C10H22N2.2ClH/c1-2-3-7-10(12)8-5-4-6-9(10)11;;/h9H,2-8,11-12H2,1H3;2*1H
InChIKeyOWRISTJCUKNJQE-UHFFFAOYSA-N
XLogP2.62
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-butylcyclohexane-1,2-diamine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethylcyclohexane-1,2-diamine
CID 67021542
1-butyl-2-tert-butylcyclohexan-1-amine
CID 63408346
1-butyl-2-cyclohexylcyclohexan-1-amine
CID 55187524
1-butylcyclohexan-1-amine;hydrochloride
CID 45264189
1-(2-butoxyethyl)-2-methylcyclohexan-1-amine
CID 115001863
1-prop-2-enylcyclohexane-1,2-diamine
CID 68617313
1,4-dibutylcyclohexane-1,4-diamine
CID 139996761
1-butylcyclohexan-1-amine
CID 13182498
1-butyl-2-propylcyclopropan-1-amine
CID 79411808
2-tert-butyl-1-propylcyclohexan-1-amine
CID 43809442
2-(1,2-diaminocyclohexyl)acetic acid;hydrate
CID 70410023
1-butyl-1-(1-butyl-2-methylcyclohexyl)sulfanyl-2-methylcyclohexane
CID 141375893

Frequently Asked Questions

What is the IUPAC name of 1-butylcyclohexane-1,2-diamine;dihydrochloride?
The IUPAC name of 1-butylcyclohexane-1,2-diamine;dihydrochloride (CID 174736992) is 1-butylcyclohexane-1,2-diamine;dihydrochloride.
What is the SMILES notation for 1-butylcyclohexane-1,2-diamine;dihydrochloride?
The canonical SMILES for 1-butylcyclohexane-1,2-diamine;dihydrochloride is CCCCC1(N)CCCCC1N.Cl.Cl.
What is the InChIKey of 1-butylcyclohexane-1,2-diamine;dihydrochloride?
The InChIKey is OWRISTJCUKNJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.2ClH/c1-2-3-7-10(12)8-5-4-6-9(10)11;;/h9H,2-8,11-12H2,1H3;2*1H.
What are the key properties of 1-butylcyclohexane-1,2-diamine;dihydrochloride?
1-butylcyclohexane-1,2-diamine;dihydrochloride has a molecular weight of 243.22 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylcyclohexane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 174736992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).