4-[(4-phenylcyclohexyl)methylamino]butanoic acid

C17H25NO2 — CID 122035940

IUPAC4-[(4-phenylcyclohexyl)methylamino]butanoic acid
SMILESO=C(O)CCCNCC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c19-17(20)7-4-12-18-13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h1-3,5-6,14,16,18H,4,7-13H2,(H,19,20)
InChIKeyDGRHNGJFAOJCLA-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.41
Rot. Bonds7

About 4-[(4-phenylcyclohexyl)methylamino]butanoic acid

4-[(4-phenylcyclohexyl)methylamino]butanoic acid (PubChem CID 122035940) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-[(4-phenylcyclohexyl)methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-phenylcyclohexyl)methylamino]butanoic acid
PubChem CID122035940
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-[(4-phenylcyclohexyl)methylamino]butanoic acid
SMILESO=C(O)CCCNCC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c19-17(20)7-4-12-18-13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h1-3,5-6,14,16,18H,4,7-13H2,(H,19,20)
InChIKeyDGRHNGJFAOJCLA-UHFFFAOYSA-N
XLogP3.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid
CID 119170948
4-(cyclopropylmethylamino)butanoic acid
CID 43377785
4-[(4-cyclopropylphenyl)methylamino]butanoic acid
CID 79979436
4-(cyclohexylmethylamino)butanoic acid
CID 24705289
4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid
CID 122021606
(2R)-2-[(4-phenylcyclohexyl)methylamino]propanoic acid
CID 122038120
N-(3-aminopropyl)-2-(4-phenylcyclohexyl)acetamide
CID 119407911
4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
CID 122031272
4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;hydrochloride
CID 119716199
2-[(4-phenylcyclohexyl)methyl]propanedioic acid
CID 18768944
4-[[(3-cyclopropylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79971547
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone;hydrochloride
CID 119624456

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylcyclohexyl)methylamino]butanoic acid?
The IUPAC name of 4-[(4-phenylcyclohexyl)methylamino]butanoic acid (CID 122035940) is 4-[(4-phenylcyclohexyl)methylamino]butanoic acid.
What is the SMILES notation for 4-[(4-phenylcyclohexyl)methylamino]butanoic acid?
The canonical SMILES for 4-[(4-phenylcyclohexyl)methylamino]butanoic acid is O=C(O)CCCNCC1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-[(4-phenylcyclohexyl)methylamino]butanoic acid?
The InChIKey is DGRHNGJFAOJCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c19-17(20)7-4-12-18-13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h1-3,5-6,14,16,18H,4,7-13H2,(H,19,20).
What are the key properties of 4-[(4-phenylcyclohexyl)methylamino]butanoic acid?
4-[(4-phenylcyclohexyl)methylamino]butanoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylcyclohexyl)methylamino]butanoic acid is sourced from PubChem (CID 122035940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).