1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;hydrochloride

C14H23ClN2 — CID 68895646

IUPAC1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;hydrochloride
SMILESCN(C)C1(c2ccccc2)CCC(N)CC1.Cl
InChIInChI=1S/C14H22N2.ClH/c1-16(2)14(10-8-13(15)9-11-14)12-6-4-3-5-7-12;/h3-7,13H,8-11,15H2,1-2H3;1H
InChIKeyYGIBSEFYWBCAKE-UHFFFAOYSA-N
MW254.81 g/mol
LogP2.77
Rot. Bonds2

About 1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;hydrochloride

1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;hydrochloride (PubChem CID 68895646) has the molecular formula C14H23ClN2 and a molecular weight of 254.81 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;hydrochloride
PubChem CID68895646
Molecular FormulaC14H23ClN2
Molecular Weight254.81 g/mol
Exact Mass254.15
IUPAC Name1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;hydrochloride
SMILESCN(C)C1(c2ccccc2)CCC(N)CC1.Cl
InChIInChI=1S/C14H22N2.ClH/c1-16(2)14(10-8-13(15)9-11-14)12-6-4-3-5-7-12;/h3-7,13H,8-11,15H2,1-2H3;1H
InChIKeyYGIBSEFYWBCAKE-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.81
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-cyclooctyl-1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;dihydrochloride
CID 69337826
4-(dimethylamino)-4-phenylcyclohexane-1-carboxamide
CID 21082136
cis-(1R,3R)-3-methyl-3-phenylcyclopentan-1-amine;hydrochloride
CID 173470709
methyl 2-[4-(dimethylamino)-4-phenylcyclohexyl]acetate;hydrochloride
CID 67386483
4-bromo-4-phenylcyclohexan-1-amine
CID 178078365
4-amino-1-phenylcyclohexan-1-ol
CID 3039766
4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 10451113
4-[2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 68831952
1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid
CID 130202617
4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine
CID 10451114
2-[4-(dimethylamino)-4-phenylcyclohexyl]-N-(4-fluorophenyl)acetamide;2-[4-(dimethylamino)-4-phenylcyclohexyl]-N-phenylacetamide;trihydrochloride
CID 162048374
4-(4-amino-1-phenylcyclohexyl)aniline
CID 46846207

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;hydrochloride?
The IUPAC name of 1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;hydrochloride (CID 68895646) is 1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;hydrochloride.
What is the SMILES notation for 1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;hydrochloride?
The canonical SMILES for 1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;hydrochloride is CN(C)C1(c2ccccc2)CCC(N)CC1.Cl.
What is the InChIKey of 1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;hydrochloride?
The InChIKey is YGIBSEFYWBCAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.ClH/c1-16(2)14(10-8-13(15)9-11-14)12-6-4-3-5-7-12;/h3-7,13H,8-11,15H2,1-2H3;1H.
What are the key properties of 1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;hydrochloride?
1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;hydrochloride has a molecular weight of 254.81 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;hydrochloride is sourced from PubChem (CID 68895646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).