4-[(4-cyclopentylphenyl)methylamino]cyclohexane-1-carboxylic acid

C19H27NO2 — CID 122039059

IUPAC4-[(4-cyclopentylphenyl)methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCc2ccc(C3CCCC3)cc2)CC1
InChIInChI=1S/C19H27NO2/c21-19(22)17-9-11-18(12-10-17)20-13-14-5-7-16(8-6-14)15-3-1-2-4-15/h5-8,15,17-18,20H,1-4,9-13H2,(H,21,22)
InChIKeyMEHJBTNVGPBRLU-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.08
Rot. Bonds5

About 4-[(4-cyclopentylphenyl)methylamino]cyclohexane-1-carboxylic acid

4-[(4-cyclopentylphenyl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 122039059) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-[(4-cyclopentylphenyl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-cyclopentylphenyl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID122039059
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name4-[(4-cyclopentylphenyl)methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCc2ccc(C3CCCC3)cc2)CC1
InChIInChI=1S/C19H27NO2/c21-19(22)17-9-11-18(12-10-17)20-13-14-5-7-16(8-6-14)15-3-1-2-4-15/h5-8,15,17-18,20H,1-4,9-13H2,(H,21,22)
InChIKeyMEHJBTNVGPBRLU-UHFFFAOYSA-N
XLogP4.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 79977776
4-[(4-iodophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 65478258
4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol
CID 79979753
4-(1H-pyrrol-3-ylmethylamino)cyclohexane-1-carboxylic acid
CID 115149093
4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
CID 122031272
4-[(3-chloro-4-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 81155541
4-[(cyclooctylamino)methyl]benzoic acid;hydrochloride
CID 17158513
N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide
CID 106910531
N-[(4-cyclopentylphenyl)methyl]acetamide
CID 66695215
N-[(4-cyclopentylphenyl)methyl]hydroxylamine
CID 117282542
4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 122030855
2-(4-cycloheptylphenyl)acetic acid
CID 21484425

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopentylphenyl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-cyclopentylphenyl)methylamino]cyclohexane-1-carboxylic acid (CID 122039059) is 4-[(4-cyclopentylphenyl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-cyclopentylphenyl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-cyclopentylphenyl)methylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCc2ccc(C3CCCC3)cc2)CC1.
What is the InChIKey of 4-[(4-cyclopentylphenyl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is MEHJBTNVGPBRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c21-19(22)17-9-11-18(12-10-17)20-13-14-5-7-16(8-6-14)15-3-1-2-4-15/h5-8,15,17-18,20H,1-4,9-13H2,(H,21,22).
What are the key properties of 4-[(4-cyclopentylphenyl)methylamino]cyclohexane-1-carboxylic acid?
4-[(4-cyclopentylphenyl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 301.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopentylphenyl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122039059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).