(2,6,6-trimethylcyclohexen-1-yl)methanamine;hydrochloride

C10H20ClN — CID 155858654

IUPAC(2,6,6-trimethylcyclohexen-1-yl)methanamine;hydrochloride
SMILESCC1=C(CN)C(C)(C)CCC1.Cl
InChIInChI=1S/C10H19N.ClH/c1-8-5-4-6-10(2,3)9(8)7-11;/h4-7,11H2,1-3H3;1H
InChIKeyKVTGMBJVVCVQSV-UHFFFAOYSA-N
MW189.73 g/mol
LogP2.89
Rot. Bonds1

About (2,6,6-trimethylcyclohexen-1-yl)methanamine;hydrochloride

(2,6,6-trimethylcyclohexen-1-yl)methanamine;hydrochloride (PubChem CID 155858654) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is (2,6,6-trimethylcyclohexen-1-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2,6,6-trimethylcyclohexen-1-yl)methanamine;hydrochloride
PubChem CID155858654
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name(2,6,6-trimethylcyclohexen-1-yl)methanamine;hydrochloride
SMILESCC1=C(CN)C(C)(C)CCC1.Cl
InChIInChI=1S/C10H19N.ClH/c1-8-5-4-6-10(2,3)9(8)7-11;/h4-7,11H2,1-3H3;1H
InChIKeyKVTGMBJVVCVQSV-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6,6-trimethylcyclohexen-1-yl)methanamine;hydrochloride?
The IUPAC name of (2,6,6-trimethylcyclohexen-1-yl)methanamine;hydrochloride (CID 155858654) is (2,6,6-trimethylcyclohexen-1-yl)methanamine;hydrochloride.
What is the SMILES notation for (2,6,6-trimethylcyclohexen-1-yl)methanamine;hydrochloride?
The canonical SMILES for (2,6,6-trimethylcyclohexen-1-yl)methanamine;hydrochloride is CC1=C(CN)C(C)(C)CCC1.Cl.
What is the InChIKey of (2,6,6-trimethylcyclohexen-1-yl)methanamine;hydrochloride?
The InChIKey is KVTGMBJVVCVQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.ClH/c1-8-5-4-6-10(2,3)9(8)7-11;/h4-7,11H2,1-3H3;1H.
What are the key properties of (2,6,6-trimethylcyclohexen-1-yl)methanamine;hydrochloride?
(2,6,6-trimethylcyclohexen-1-yl)methanamine;hydrochloride has a molecular weight of 189.73 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6,6-trimethylcyclohexen-1-yl)methanamine;hydrochloride is sourced from PubChem (CID 155858654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).