1,2,2-trimethylcyclohexan-1-amine;hydrochloride

C9H20ClN — CID 3021814

IUPAC1,2,2-trimethylcyclohexan-1-amine;hydrochloride
SMILESCC1(C)CCCCC1(C)N.Cl
InChIInChI=1S/C9H19N.ClH/c1-8(2)6-4-5-7-9(8,3)10;/h4-7,10H2,1-3H3;1H
InChIKeyBMQKLGWZPXOGPD-UHFFFAOYSA-N
MW177.72 g/mol
LogP2.73
Rot. Bonds

About 1,2,2-trimethylcyclohexan-1-amine;hydrochloride

1,2,2-trimethylcyclohexan-1-amine;hydrochloride (PubChem CID 3021814) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is 1,2,2-trimethylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name1,2,2-trimethylcyclohexan-1-amine;hydrochloride
PubChem CID3021814
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Name1,2,2-trimethylcyclohexan-1-amine;hydrochloride
SMILESCC1(C)CCCCC1(C)N.Cl
InChIInChI=1S/C9H19N.ClH/c1-8(2)6-4-5-7-9(8,3)10;/h4-7,10H2,1-3H3;1H
InChIKeyBMQKLGWZPXOGPD-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethylcyclohexan-1-amine;hydrochloride?
The IUPAC name of 1,2,2-trimethylcyclohexan-1-amine;hydrochloride (CID 3021814) is 1,2,2-trimethylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 1,2,2-trimethylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for 1,2,2-trimethylcyclohexan-1-amine;hydrochloride is CC1(C)CCCCC1(C)N.Cl.
What is the InChIKey of 1,2,2-trimethylcyclohexan-1-amine;hydrochloride?
The InChIKey is BMQKLGWZPXOGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.ClH/c1-8(2)6-4-5-7-9(8,3)10;/h4-7,10H2,1-3H3;1H.
What are the key properties of 1,2,2-trimethylcyclohexan-1-amine;hydrochloride?
1,2,2-trimethylcyclohexan-1-amine;hydrochloride has a molecular weight of 177.72 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 3021814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).