4-[[2-methyl-1-(4-propylphenyl)propyl]amino]cyclohexane-1-carboxylic acid

C20H31NO2 — CID 122031119

IUPAC4-[[2-methyl-1-(4-propylphenyl)propyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCc1ccc(C(NC2CCC(C(=O)O)CC2)C(C)C)cc1
InChIInChI=1S/C20H31NO2/c1-4-5-15-6-8-16(9-7-15)19(14(2)3)21-18-12-10-17(11-13-18)20(22)23/h6-9,14,17-19,21H,4-5,10-13H2,1-3H3,(H,22,23)
InChIKeyLESPFDAFWVDCGK-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.57
Rot. Bonds7

About 4-[[2-methyl-1-(4-propylphenyl)propyl]amino]cyclohexane-1-carboxylic acid

4-[[2-methyl-1-(4-propylphenyl)propyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122031119) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 4-[[2-methyl-1-(4-propylphenyl)propyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-methyl-1-(4-propylphenyl)propyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122031119
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name4-[[2-methyl-1-(4-propylphenyl)propyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCc1ccc(C(NC2CCC(C(=O)O)CC2)C(C)C)cc1
InChIInChI=1S/C20H31NO2/c1-4-5-15-6-8-16(9-7-15)19(14(2)3)21-18-12-10-17(11-13-18)20(22)23/h6-9,14,17-19,21H,4-5,10-13H2,1-3H3,(H,22,23)
InChIKeyLESPFDAFWVDCGK-UHFFFAOYSA-N
XLogP4.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]cyclohexane-1-carboxylic acid
CID 122030055
1-[[2-methyl-1-(4-propylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid
CID 122000188
3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide
CID 119692874
N-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide
CID 119273047
4-[1-(4-ethylsulfanylphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 122031139
1-[4-[1-(4-propylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43745968
N-[1-(4-ethylphenyl)-2-methylpropyl]-1,1-dioxothian-4-amine
CID 43511667
3-(cyclopropylamino)-4-(4-propylphenyl)butanoic acid
CID 82351006
N-(cyclopropylmethyl)-2-[[2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 78841972
(2R)-2-amino-N-[2-methyl-1-(4-propylphenyl)propyl]propanamide
CID 119273049
N-cyclopropyl-2-[1-(4-propylphenyl)ethylamino]propanamide
CID 115672864
N-[1-(4-bromophenyl)-2-methylpropyl]cyclopropanamine
CID 83693837

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-1-(4-propylphenyl)propyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-methyl-1-(4-propylphenyl)propyl]amino]cyclohexane-1-carboxylic acid (CID 122031119) is 4-[[2-methyl-1-(4-propylphenyl)propyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-methyl-1-(4-propylphenyl)propyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-methyl-1-(4-propylphenyl)propyl]amino]cyclohexane-1-carboxylic acid is CCCc1ccc(C(NC2CCC(C(=O)O)CC2)C(C)C)cc1.
What is the InChIKey of 4-[[2-methyl-1-(4-propylphenyl)propyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is LESPFDAFWVDCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-4-5-15-6-8-16(9-7-15)19(14(2)3)21-18-12-10-17(11-13-18)20(22)23/h6-9,14,17-19,21H,4-5,10-13H2,1-3H3,(H,22,23).
What are the key properties of 4-[[2-methyl-1-(4-propylphenyl)propyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-methyl-1-(4-propylphenyl)propyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 317.47 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-1-(4-propylphenyl)propyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122031119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).