1,4-dimethylcyclohexane-1,2-diamine

C8H18N2 — CID 91102899

IUPAC1,4-dimethylcyclohexane-1,2-diamine
SMILESCC1CCC(C)(N)C(N)C1
InChIInChI=1S/C8H18N2/c1-6-3-4-8(2,10)7(9)5-6/h6-7H,3-5,9-10H2,1-2H3
InChIKeyDNEXBLGOHODNHP-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.85
Rot. Bonds

About 1,4-dimethylcyclohexane-1,2-diamine

1,4-dimethylcyclohexane-1,2-diamine (PubChem CID 91102899) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1,4-dimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name1,4-dimethylcyclohexane-1,2-diamine
PubChem CID91102899
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1,4-dimethylcyclohexane-1,2-diamine
SMILESCC1CCC(C)(N)C(N)C1
InChIInChI=1S/C8H18N2/c1-6-3-4-8(2,10)7(9)5-6/h6-7H,3-5,9-10H2,1-2H3
InChIKeyDNEXBLGOHODNHP-UHFFFAOYSA-N
XLogP0.85
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2S)-1-methylcyclobutane-1,2-diamine
CID 12699189
(1R)-1,2-dimethylcyclobutan-1-amine
CID 147198625
6,8-dimethylspiro[2.5]octan-2-amine
CID 64755024
1-methylcyclopropane-1,2-diamine
CID 15182447
1-(aminomethyl)-2,4-dimethylcyclohexan-1-amine
CID 64761739
(2R)-2-methylbicyclo[3.1.1]heptan-2-amine
CID 55290522
[(1S,2S,4R)-1,2,4-trimethylcyclohexyl]methanamine
CID 125452405
[(1S,2R)-2-amino-2-methylcyclobutyl]methanol
CID 55284494
cis-(2R,4S)-1,1,2,4-tetramethylcyclohexane;ethene
CID 177145950
1,4-dimethylcycloheptan-1-amine
CID 65080006
(1R)-2,2-dimethylcyclobutan-1-amine
CID 99645727
2,2,6-trimethylspiro[2.5]octane
CID 149026229

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexane-1,2-diamine?
The IUPAC name of 1,4-dimethylcyclohexane-1,2-diamine (CID 91102899) is 1,4-dimethylcyclohexane-1,2-diamine.
What is the SMILES notation for 1,4-dimethylcyclohexane-1,2-diamine?
The canonical SMILES for 1,4-dimethylcyclohexane-1,2-diamine is CC1CCC(C)(N)C(N)C1.
What is the InChIKey of 1,4-dimethylcyclohexane-1,2-diamine?
The InChIKey is DNEXBLGOHODNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-6-3-4-8(2,10)7(9)5-6/h6-7H,3-5,9-10H2,1-2H3.
What are the key properties of 1,4-dimethylcyclohexane-1,2-diamine?
1,4-dimethylcyclohexane-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 91102899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).