3,4,4-trimethylcyclohexan-1-amine;hydrochloride

C9H20ClN — CID 138991031

IUPAC3,4,4-trimethylcyclohexan-1-amine;hydrochloride
SMILESCC1CC(N)CCC1(C)C.Cl
InChIInChI=1S/C9H19N.ClH/c1-7-6-8(10)4-5-9(7,2)3;/h7-8H,4-6,10H2,1-3H3;1H
InChIKeyKRBPJKNTGVHOJO-UHFFFAOYSA-N
MW177.72 g/mol
LogP2.58
Rot. Bonds

About 3,4,4-trimethylcyclohexan-1-amine;hydrochloride

3,4,4-trimethylcyclohexan-1-amine;hydrochloride (PubChem CID 138991031) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is 3,4,4-trimethylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name3,4,4-trimethylcyclohexan-1-amine;hydrochloride
PubChem CID138991031
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Name3,4,4-trimethylcyclohexan-1-amine;hydrochloride
SMILESCC1CC(N)CCC1(C)C.Cl
InChIInChI=1S/C9H19N.ClH/c1-7-6-8(10)4-5-9(7,2)3;/h7-8H,4-6,10H2,1-3H3;1H
InChIKeyKRBPJKNTGVHOJO-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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Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethylcyclohexan-1-amine;hydrochloride?
The IUPAC name of 3,4,4-trimethylcyclohexan-1-amine;hydrochloride (CID 138991031) is 3,4,4-trimethylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 3,4,4-trimethylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for 3,4,4-trimethylcyclohexan-1-amine;hydrochloride is CC1CC(N)CCC1(C)C.Cl.
What is the InChIKey of 3,4,4-trimethylcyclohexan-1-amine;hydrochloride?
The InChIKey is KRBPJKNTGVHOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.ClH/c1-7-6-8(10)4-5-9(7,2)3;/h7-8H,4-6,10H2,1-3H3;1H.
What are the key properties of 3,4,4-trimethylcyclohexan-1-amine;hydrochloride?
3,4,4-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 3,4,4-trimethylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 138991031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).