(1,5-diethyl-5-methylcyclohex-2-en-1-yl)methanamine;hydrochloride

C12H24ClN — CID 162327013

IUPAC(1,5-diethyl-5-methylcyclohex-2-en-1-yl)methanamine;hydrochloride
SMILESCCC1(C)CC=CC(CC)(CN)C1.Cl
InChIInChI=1S/C12H23N.ClH/c1-4-11(3)7-6-8-12(5-2,9-11)10-13;/h6,8H,4-5,7,9-10,13H2,1-3H3;1H
InChIKeyFAIHWQYJNNRMCB-UHFFFAOYSA-N
MW217.78 g/mol
LogP3.53
Rot. Bonds3

About (1,5-diethyl-5-methylcyclohex-2-en-1-yl)methanamine;hydrochloride

(1,5-diethyl-5-methylcyclohex-2-en-1-yl)methanamine;hydrochloride (PubChem CID 162327013) has the molecular formula C12H24ClN and a molecular weight of 217.78 g/mol. Its IUPAC name is (1,5-diethyl-5-methylcyclohex-2-en-1-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1,5-diethyl-5-methylcyclohex-2-en-1-yl)methanamine;hydrochloride
PubChem CID162327013
Molecular FormulaC12H24ClN
Molecular Weight217.78 g/mol
Exact Mass217.16
IUPAC Name(1,5-diethyl-5-methylcyclohex-2-en-1-yl)methanamine;hydrochloride
SMILESCCC1(C)CC=CC(CC)(CN)C1.Cl
InChIInChI=1S/C12H23N.ClH/c1-4-11(3)7-6-8-12(5-2,9-11)10-13;/h6,8H,4-5,7,9-10,13H2,1-3H3;1H
InChIKeyFAIHWQYJNNRMCB-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.78
LogP ≤ 53.53
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 (1,5-diethyl-5-methylcyclohex-2-en-1-yl)methanamine;hydrochloride?
The IUPAC name of (1,5-diethyl-5-methylcyclohex-2-en-1-yl)methanamine;hydrochloride (CID 162327013) is (1,5-diethyl-5-methylcyclohex-2-en-1-yl)methanamine;hydrochloride.
What is the SMILES notation for (1,5-diethyl-5-methylcyclohex-2-en-1-yl)methanamine;hydrochloride?
The canonical SMILES for (1,5-diethyl-5-methylcyclohex-2-en-1-yl)methanamine;hydrochloride is CCC1(C)CC=CC(CC)(CN)C1.Cl.
What is the InChIKey of (1,5-diethyl-5-methylcyclohex-2-en-1-yl)methanamine;hydrochloride?
The InChIKey is FAIHWQYJNNRMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.ClH/c1-4-11(3)7-6-8-12(5-2,9-11)10-13;/h6,8H,4-5,7,9-10,13H2,1-3H3;1H.
What are the key properties of (1,5-diethyl-5-methylcyclohex-2-en-1-yl)methanamine;hydrochloride?
(1,5-diethyl-5-methylcyclohex-2-en-1-yl)methanamine;hydrochloride has a molecular weight of 217.78 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-diethyl-5-methylcyclohex-2-en-1-yl)methanamine;hydrochloride is sourced from PubChem (CID 162327013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).