5-[(2-propan-2-ylcyclohexyl)amino]pentanoic acid

C14H27NO2 — CID 103261984

IUPAC5-[(2-propan-2-ylcyclohexyl)amino]pentanoic acid
SMILESCC(C)C1CCCCC1NCCCCC(=O)O
InChIInChI=1S/C14H27NO2/c1-11(2)12-7-3-4-8-13(12)15-10-6-5-9-14(16)17/h11-13,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyIPXPPSPVFOBWBV-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.05
Rot. Bonds7

About 5-[(2-propan-2-ylcyclohexyl)amino]pentanoic acid

5-[(2-propan-2-ylcyclohexyl)amino]pentanoic acid (PubChem CID 103261984) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 5-[(2-propan-2-ylcyclohexyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(2-propan-2-ylcyclohexyl)amino]pentanoic acid
PubChem CID103261984
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name5-[(2-propan-2-ylcyclohexyl)amino]pentanoic acid
SMILESCC(C)C1CCCCC1NCCCCC(=O)O
InChIInChI=1S/C14H27NO2/c1-11(2)12-7-3-4-8-13(12)15-10-6-5-9-14(16)17/h11-13,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyIPXPPSPVFOBWBV-UHFFFAOYSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.05
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

5-[(2-methylcyclopentyl)amino]pentanoic acid
CID 103251309
2-propan-2-yl-N-propylcyclohexan-1-amine
CID 62603110
4-[(3-propan-2-ylcyclohexyl)amino]butanoic acid
CID 107448290
N-(2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 81301790
7-[(1S)-2-(heptylamino)cyclopentyl]heptanoic acid
CID 10041163
N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81328492
3-(2-propan-2-ylcyclohexyl)propanoic acid
CID 84733624
N-(cyclopropylmethyl)-2-propan-2-ylcyclohexan-1-amine
CID 78927307
4-(cycloheptylamino)butanoic acid
CID 43377987
7-[2-(hexylamino)-6-methylcyclohexyl]heptanoic acid
CID 67932357
4-hydroxy-4-[[(2-propan-2-ylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106499699
ethyl 3-hydroxy-4-[(2-propan-2-ylcyclohexyl)amino]butanoate
CID 103261980

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-ylcyclohexyl)amino]pentanoic acid?
The IUPAC name of 5-[(2-propan-2-ylcyclohexyl)amino]pentanoic acid (CID 103261984) is 5-[(2-propan-2-ylcyclohexyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(2-propan-2-ylcyclohexyl)amino]pentanoic acid?
The canonical SMILES for 5-[(2-propan-2-ylcyclohexyl)amino]pentanoic acid is CC(C)C1CCCCC1NCCCCC(=O)O.
What is the InChIKey of 5-[(2-propan-2-ylcyclohexyl)amino]pentanoic acid?
The InChIKey is IPXPPSPVFOBWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)12-7-3-4-8-13(12)15-10-6-5-9-14(16)17/h11-13,15H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 5-[(2-propan-2-ylcyclohexyl)amino]pentanoic acid?
5-[(2-propan-2-ylcyclohexyl)amino]pentanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-ylcyclohexyl)amino]pentanoic acid is sourced from PubChem (CID 103261984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).