[(1S,2S,4R)-1,2,4-trimethylcyclohexyl]methanamine

C10H21N — CID 125452405

IUPAC[(1S,2S,4R)-1,2,4-trimethylcyclohexyl]methanamine
SMILESC[C@@H]1CC[C@](C)(CN)[C@@H](C)C1
InChIInChI=1S/C10H21N/c1-8-4-5-10(3,7-11)9(2)6-8/h8-9H,4-7,11H2,1-3H3/t8-,9+,10-/m1/s1
InChIKeyJOBZKTIXQMVYJL-KXUCPTDWSA-N
MW155.28 g/mol
LogP2.41
Rot. Bonds1

About [(1S,2S,4R)-1,2,4-trimethylcyclohexyl]methanamine

[(1S,2S,4R)-1,2,4-trimethylcyclohexyl]methanamine (PubChem CID 125452405) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is [(1S,2S,4R)-1,2,4-trimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[(1S,2S,4R)-1,2,4-trimethylcyclohexyl]methanamine
PubChem CID125452405
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name[(1S,2S,4R)-1,2,4-trimethylcyclohexyl]methanamine
SMILESC[C@@H]1CC[C@](C)(CN)[C@@H](C)C1
InChIInChI=1S/C10H21N/c1-8-4-5-10(3,7-11)9(2)6-8/h8-9H,4-7,11H2,1-3H3/t8-,9+,10-/m1/s1
InChIKeyJOBZKTIXQMVYJL-KXUCPTDWSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S,2R,4S)-1,2,4-trimethylcyclohexyl]methanol
CID 7061819
1-(aminomethyl)-2,4-dimethylcyclohexan-1-amine
CID 64761739
cis-(2R,4S)-1,1,2,4-tetramethylcyclohexane;ethene
CID 177145950
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
6,8-dimethylspiro[2.5]octan-2-amine
CID 64755024
1-(aminomethyl)-4-methylcyclohexan-1-amine
CID 43519520
N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]piperidin-1-amine
CID 83011621
1-(aminomethyl)-N-cyclohexyl-N-ethyl-2,4-dimethylcyclohexan-1-amine
CID 64760341
[1-(4-ethylpiperazin-1-yl)-2,4-dimethylcyclohexyl]methanamine
CID 64760736
N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-ethyl-4-methylaniline
CID 64762938

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4R)-1,2,4-trimethylcyclohexyl]methanamine?
The IUPAC name of [(1S,2S,4R)-1,2,4-trimethylcyclohexyl]methanamine (CID 125452405) is [(1S,2S,4R)-1,2,4-trimethylcyclohexyl]methanamine.
What is the SMILES notation for [(1S,2S,4R)-1,2,4-trimethylcyclohexyl]methanamine?
The canonical SMILES for [(1S,2S,4R)-1,2,4-trimethylcyclohexyl]methanamine is C[C@@H]1CC[C@](C)(CN)[C@@H](C)C1.
What is the InChIKey of [(1S,2S,4R)-1,2,4-trimethylcyclohexyl]methanamine?
The InChIKey is JOBZKTIXQMVYJL-KXUCPTDWSA-N. The full InChI is InChI=1S/C10H21N/c1-8-4-5-10(3,7-11)9(2)6-8/h8-9H,4-7,11H2,1-3H3/t8-,9+,10-/m1/s1.
What are the key properties of [(1S,2S,4R)-1,2,4-trimethylcyclohexyl]methanamine?
[(1S,2S,4R)-1,2,4-trimethylcyclohexyl]methanamine has a molecular weight of 155.28 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4R)-1,2,4-trimethylcyclohexyl]methanamine is sourced from PubChem (CID 125452405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).