3,4,5-trimethylcyclohexan-1-amine

C9H19N — CID 130371803

IUPAC3,4,5-trimethylcyclohexan-1-amine
SMILESCC1CC(N)CC(C)C1C
InChIInChI=1S/C9H19N/c1-6-4-9(10)5-7(2)8(6)3/h6-9H,4-5,10H2,1-3H3
InChIKeyDIIKAFLFAPCSPD-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.02
Rot. Bonds

About 3,4,5-trimethylcyclohexan-1-amine

3,4,5-trimethylcyclohexan-1-amine (PubChem CID 130371803) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 3,4,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name3,4,5-trimethylcyclohexan-1-amine
PubChem CID130371803
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name3,4,5-trimethylcyclohexan-1-amine
SMILESCC1CC(N)CC(C)C1C
InChIInChI=1S/C9H19N/c1-6-4-9(10)5-7(2)8(6)3/h6-9H,4-5,10H2,1-3H3
InChIKeyDIIKAFLFAPCSPD-UHFFFAOYSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2R)-2-methylcyclopropan-1-amine
CID 12953691
trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
CID 58443772
3,4-dimethylcyclopentane-1,2-diamine
CID 20514197
1,2,3,5,7-pentamethylcyclooctane
CID 91401486
4-amino-2-methylcyclopentane-1-carboxylic acid
CID 89122843
cis-(1S,2R)-2-methylcyclopropan-1-amine;hydrochloride
CID 146012745
1,2,3,4,5,6-hexamethylcycloheptane
CID 59131994
carbanide;(1S,2S,3R,4R)-1,2,3,4-tetramethylcyclopentane;(yttrium)
CID 163562736
(1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol
CID 124537900
7-methylbicyclo[3.3.1]nonan-3-amine
CID 58358746
5-butyl-1,2,3-trimethylcyclohexane
CID 91035844
cis-(1S,3R)-1,2,3-trimethylcyclopentane
CID 6427077

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethylcyclohexan-1-amine?
The IUPAC name of 3,4,5-trimethylcyclohexan-1-amine (CID 130371803) is 3,4,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 3,4,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 3,4,5-trimethylcyclohexan-1-amine is CC1CC(N)CC(C)C1C.
What is the InChIKey of 3,4,5-trimethylcyclohexan-1-amine?
The InChIKey is DIIKAFLFAPCSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-6-4-9(10)5-7(2)8(6)3/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 3,4,5-trimethylcyclohexan-1-amine?
3,4,5-trimethylcyclohexan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 130371803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).