1,3,5-trimethylcyclohexan-1-amine;hydrochloride

C9H20ClN — CID 18783158

IUPAC1,3,5-trimethylcyclohexan-1-amine;hydrochloride
SMILESCC1CC(C)CC(C)(N)C1.Cl
InChIInChI=1S/C9H19N.ClH/c1-7-4-8(2)6-9(3,10)5-7;/h7-8H,4-6,10H2,1-3H3;1H
InChIKeySQXYLYRPNTUOLP-UHFFFAOYSA-N
MW177.72 g/mol
LogP2.58
Rot. Bonds

About 1,3,5-trimethylcyclohexan-1-amine;hydrochloride

1,3,5-trimethylcyclohexan-1-amine;hydrochloride (PubChem CID 18783158) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is 1,3,5-trimethylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name1,3,5-trimethylcyclohexan-1-amine;hydrochloride
PubChem CID18783158
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Name1,3,5-trimethylcyclohexan-1-amine;hydrochloride
SMILESCC1CC(C)CC(C)(N)C1.Cl
InChIInChI=1S/C9H19N.ClH/c1-7-4-8(2)6-9(3,10)5-7;/h7-8H,4-6,10H2,1-3H3;1H
InChIKeySQXYLYRPNTUOLP-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4,6-trimethyl-3-prop-1-enylcycloheptan-1-amine
CID 123728410
1-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64752832
(3S,5R)-1,3,5,7,9,11-hexamethylbicyclo[5.5.1]tridecane
CID 59096410
cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine
CID 10797095
3-ethyl-1,3,5-trimethylcyclohexan-1-amine;hydrochloride
CID 22221546
3,7-dimethylbicyclo[3.3.1]nonane-1,3-diamine
CID 170605950
7-methyltricyclo[3.3.1.03,9]nonan-7-amine
CID 152844256
(1R,3R,4R)-1,4-dimethylcyclopentane-1,3-diamine
CID 124747898
cis-(3S,5R)-1,3,5-trimethylcyclohexane-1-carbonitrile
CID 59970295
(1S,2R,4R)-4-amino-2,4-dimethylcyclopentan-1-ol
CID 99995754
1,1-diethyl-3,5-dimethylcyclohexane
CID 91010762
trans-(2S,4S)-1,1,2,4-tetramethylcyclopentane
CID 6427704

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethylcyclohexan-1-amine;hydrochloride?
The IUPAC name of 1,3,5-trimethylcyclohexan-1-amine;hydrochloride (CID 18783158) is 1,3,5-trimethylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 1,3,5-trimethylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for 1,3,5-trimethylcyclohexan-1-amine;hydrochloride is CC1CC(C)CC(C)(N)C1.Cl.
What is the InChIKey of 1,3,5-trimethylcyclohexan-1-amine;hydrochloride?
The InChIKey is SQXYLYRPNTUOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.ClH/c1-7-4-8(2)6-9(3,10)5-7;/h7-8H,4-6,10H2,1-3H3;1H.
What are the key properties of 1,3,5-trimethylcyclohexan-1-amine;hydrochloride?
1,3,5-trimethylcyclohexan-1-amine;hydrochloride has a molecular weight of 177.72 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 18783158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).