4-[[2,2-dimethyl-1-(2-methylphenyl)propyl]amino]cyclohexane-1-carboxylic acid

C19H29NO2 — CID 122031830

IUPAC4-[[2,2-dimethyl-1-(2-methylphenyl)propyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1ccccc1C(NC1CCC(C(=O)O)CC1)C(C)(C)C
InChIInChI=1S/C19H29NO2/c1-13-7-5-6-8-16(13)17(19(2,3)4)20-15-11-9-14(10-12-15)18(21)22/h5-8,14-15,17,20H,9-12H2,1-4H3,(H,21,22)
InChIKeyPRTFJJLFBDKFIG-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.32
Rot. Bonds4

About 4-[[2,2-dimethyl-1-(2-methylphenyl)propyl]amino]cyclohexane-1-carboxylic acid

4-[[2,2-dimethyl-1-(2-methylphenyl)propyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122031830) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-[[2,2-dimethyl-1-(2-methylphenyl)propyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2,2-dimethyl-1-(2-methylphenyl)propyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122031830
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name4-[[2,2-dimethyl-1-(2-methylphenyl)propyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1ccccc1C(NC1CCC(C(=O)O)CC1)C(C)(C)C
InChIInChI=1S/C19H29NO2/c1-13-7-5-6-8-16(13)17(19(2,3)4)20-15-11-9-14(10-12-15)18(21)22/h5-8,14-15,17,20H,9-12H2,1-4H3,(H,21,22)
InChIKeyPRTFJJLFBDKFIG-UHFFFAOYSA-N
XLogP4.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122001950
4-[1-(2-bromophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65054573
3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 104881612
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371
(3S)-N-[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]-1,1-dioxothiolane-3-carboxamide
CID 97319934
N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-1,1-dioxothiolane-3-carboxamide
CID 75424723
(3R)-N-[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]-1,1-dioxothiolane-3-carboxamide
CID 97319936
4-[[2,2-dimethyl-1-(3-methylphenyl)propyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122005305
2-(cyclopropylmethylamino)-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride
CID 119808436
4-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]cyclohexane-1-carboxylic acid
CID 122031584
1-[4-[(2,2-dimethyl-1-phenylpropyl)amino]piperidin-1-yl]ethanone
CID 43783246
1-[[2-methyl-1-(2-methylphenyl)propyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122001887

Frequently Asked Questions

What is the IUPAC name of 4-[[2,2-dimethyl-1-(2-methylphenyl)propyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2,2-dimethyl-1-(2-methylphenyl)propyl]amino]cyclohexane-1-carboxylic acid (CID 122031830) is 4-[[2,2-dimethyl-1-(2-methylphenyl)propyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2,2-dimethyl-1-(2-methylphenyl)propyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2,2-dimethyl-1-(2-methylphenyl)propyl]amino]cyclohexane-1-carboxylic acid is Cc1ccccc1C(NC1CCC(C(=O)O)CC1)C(C)(C)C.
What is the InChIKey of 4-[[2,2-dimethyl-1-(2-methylphenyl)propyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is PRTFJJLFBDKFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-13-7-5-6-8-16(13)17(19(2,3)4)20-15-11-9-14(10-12-15)18(21)22/h5-8,14-15,17,20H,9-12H2,1-4H3,(H,21,22).
What are the key properties of 4-[[2,2-dimethyl-1-(2-methylphenyl)propyl]amino]cyclohexane-1-carboxylic acid?
4-[[2,2-dimethyl-1-(2-methylphenyl)propyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 303.45 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,2-dimethyl-1-(2-methylphenyl)propyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122031830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).