1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid

C15H22N2O2 — CID 130202617

IUPAC1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid
SMILESCN(C)C1(c2ccccc2)CCC(N)(C(=O)O)CC1
InChIInChI=1S/C15H22N2O2/c1-17(2)15(12-6-4-3-5-7-12)10-8-14(16,9-11-15)13(18)19/h3-7H,8-11,16H2,1-2H3,(H,18,19)
InChIKeyHVWCTSFOVVEBML-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.80
Rot. Bonds3

About 1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid

1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid (PubChem CID 130202617) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid
PubChem CID130202617
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid
SMILESCN(C)C1(c2ccccc2)CCC(N)(C(=O)O)CC1
InChIInChI=1S/C15H22N2O2/c1-17(2)15(12-6-4-3-5-7-12)10-8-14(16,9-11-15)13(18)19/h3-7H,8-11,16H2,1-2H3,(H,18,19)
InChIKeyHVWCTSFOVVEBML-UHFFFAOYSA-N
XLogP1.80
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4,4-diphenylcyclohexane-1-carboxylic acid;1-methyl-4,4-diphenylcyclohexane-1-carboxylic acid
CID 158239833
4-(dimethylamino)-4-phenylcyclohexane-1-carboxamide
CID 21082136
ethyl 3-[4-(dimethylamino)-1-(3-ethoxy-3-oxopropyl)-4-phenylcyclohexyl]propanoate;sulfuric acid
CID 158207775
(Z)-but-2-enedioic acid;(E)-N-[4-(dimethylamino)-1,4-diphenylcyclohexyl]-N-methyl-3-phenylprop-2-enamide
CID 87056950
1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;hydrochloride
CID 68895646
2-chloro-N-methyl-N-(1-phenylcyclopropyl)acetamide
CID 166430545
1-aminocyclopropane-1-carboxylic acid;hydrate
CID 45116610
4-(dimethylamino)-4-phenyl-1-(1-phenylethyl)cyclohexan-1-ol
CID 154131714
1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride
CID 118711155
2-[4-(dimethylamino)-4-phenylpiperidin-1-yl]phenol
CID 138687800
(NZ)-N-[[4-(dimethylamino)-1-methyl-4-phenylcyclohexyl]methylidene]hydroxylamine
CID 87523816
[4-(dimethylamino)-4-phenyl-1-(2-phenylpropan-2-ylcarbamoyl)cyclohexyl]carbamic acid
CID 155409371

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid (CID 130202617) is 1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid is CN(C)C1(c2ccccc2)CCC(N)(C(=O)O)CC1.
What is the InChIKey of 1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid?
The InChIKey is HVWCTSFOVVEBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(2)15(12-6-4-3-5-7-12)10-8-14(16,9-11-15)13(18)19/h3-7H,8-11,16H2,1-2H3,(H,18,19).
What are the key properties of 1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid?
1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 130202617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).