N,N-dimethyl-1-phenylcyclohexan-1-amine;hydrochloride

C14H22ClN — CID 12595655

IUPACN,N-dimethyl-1-phenylcyclohexan-1-amine;hydrochloride
SMILESCN(C)C1(c2ccccc2)CCCCC1.Cl
InChIInChI=1S/C14H21N.ClH/c1-15(2)14(11-7-4-8-12-14)13-9-5-3-6-10-13;/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3;1H
InChIKeyVTMQQGJFWARWLI-UHFFFAOYSA-N
MW239.79 g/mol
LogP3.83
Rot. Bonds2

About N,N-dimethyl-1-phenylcyclohexan-1-amine;hydrochloride

N,N-dimethyl-1-phenylcyclohexan-1-amine;hydrochloride (PubChem CID 12595655) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylcyclohexan-1-amine;hydrochloride
PubChem CID12595655
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN,N-dimethyl-1-phenylcyclohexan-1-amine;hydrochloride
SMILESCN(C)C1(c2ccccc2)CCCCC1.Cl
InChIInChI=1S/C14H21N.ClH/c1-15(2)14(11-7-4-8-12-14)13-9-5-3-6-10-13;/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3;1H
InChIKeyVTMQQGJFWARWLI-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylcyclohexan-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-phenylcyclohexan-1-amine;hydrochloride (CID 12595655) is N,N-dimethyl-1-phenylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-phenylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-phenylcyclohexan-1-amine;hydrochloride is CN(C)C1(c2ccccc2)CCCCC1.Cl.
What is the InChIKey of N,N-dimethyl-1-phenylcyclohexan-1-amine;hydrochloride?
The InChIKey is VTMQQGJFWARWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.ClH/c1-15(2)14(11-7-4-8-12-14)13-9-5-3-6-10-13;/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-1-phenylcyclohexan-1-amine;hydrochloride?
N,N-dimethyl-1-phenylcyclohexan-1-amine;hydrochloride has a molecular weight of 239.79 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 12595655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).