1-(aminomethyl)-2,4-dimethylcyclohexan-1-amine

C9H20N2 — CID 64761739

IUPAC1-(aminomethyl)-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N)(CN)C(C)C1
InChIInChI=1S/C9H20N2/c1-7-3-4-9(11,6-10)8(2)5-7/h7-8H,3-6,10-11H2,1-2H3
InChIKeyKAZKKZYMWFDOHG-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.10
Rot. Bonds1

About 1-(aminomethyl)-2,4-dimethylcyclohexan-1-amine

1-(aminomethyl)-2,4-dimethylcyclohexan-1-amine (PubChem CID 64761739) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-(aminomethyl)-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-2,4-dimethylcyclohexan-1-amine
PubChem CID64761739
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-(aminomethyl)-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N)(CN)C(C)C1
InChIInChI=1S/C9H20N2/c1-7-3-4-9(11,6-10)8(2)5-7/h7-8H,3-6,10-11H2,1-2H3
InChIKeyKAZKKZYMWFDOHG-UHFFFAOYSA-N
XLogP1.10
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2S,4R)-1,2,4-trimethylcyclohexyl]methanamine
CID 125452405
1-[(3,5-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 64776189
1-(aminomethyl)-4-methylcyclohexan-1-amine
CID 43519520
2,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65166842
1-[(3-bromophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 64776203
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 113470102
2,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine
CID 130705967
1-(aminomethyl)-2,4-dimethyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 65384767
[2,4-dimethyl-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 64761550
[2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine
CID 64760134
1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 79744452
1-[(5-ethyl-2-pyridinyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 79746172

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-2,4-dimethylcyclohexan-1-amine (CID 64761739) is 1-(aminomethyl)-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-2,4-dimethylcyclohexan-1-amine is CC1CCC(N)(CN)C(C)C1.
What is the InChIKey of 1-(aminomethyl)-2,4-dimethylcyclohexan-1-amine?
The InChIKey is KAZKKZYMWFDOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-7-3-4-9(11,6-10)8(2)5-7/h7-8H,3-6,10-11H2,1-2H3.
What are the key properties of 1-(aminomethyl)-2,4-dimethylcyclohexan-1-amine?
1-(aminomethyl)-2,4-dimethylcyclohexan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64761739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).