5-[(3-ethylcyclohexyl)amino]pentanoic acid

C13H25NO2 — CID 103253769

IUPAC5-[(3-ethylcyclohexyl)amino]pentanoic acid
SMILESCCC1CCCC(NCCCCC(=O)O)C1
InChIInChI=1S/C13H25NO2/c1-2-11-6-5-7-12(10-11)14-9-4-3-8-13(15)16/h11-12,14H,2-10H2,1H3,(H,15,16)
InChIKeyKTFFGZOAQPVPDU-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.80
Rot. Bonds7

About 5-[(3-ethylcyclohexyl)amino]pentanoic acid

5-[(3-ethylcyclohexyl)amino]pentanoic acid (PubChem CID 103253769) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-[(3-ethylcyclohexyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(3-ethylcyclohexyl)amino]pentanoic acid
PubChem CID103253769
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name5-[(3-ethylcyclohexyl)amino]pentanoic acid
SMILESCCC1CCCC(NCCCCC(=O)O)C1
InChIInChI=1S/C13H25NO2/c1-2-11-6-5-7-12(10-11)14-9-4-3-8-13(15)16/h11-12,14H,2-10H2,1H3,(H,15,16)
InChIKeyKTFFGZOAQPVPDU-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.80
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-[(4-ethylcycloheptyl)amino]butanoic acid
CID 65083390
5-[(4-ethylcyclohexyl)amino]pentanoic acid
CID 103243784
N-ethyl-3-[(3-ethylcyclohexyl)amino]propanamide
CID 64743974
4-[(3-propan-2-ylcyclohexyl)amino]butanoic acid
CID 107448290
N-(3-ethylcyclohexyl)-5-hydroxypentanamide
CID 79210264
3-ethyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039078
5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid
CID 103254539
4-(cycloheptylamino)butanoic acid
CID 43377987
3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
CID 64743190
2-[[(3-ethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103253788
N-cyclohexyl-2-[(3-ethylcyclohexyl)amino]acetamide
CID 64742794
4-chloro-N-(3-ethylcyclohexyl)butanamide
CID 64748225

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylcyclohexyl)amino]pentanoic acid?
The IUPAC name of 5-[(3-ethylcyclohexyl)amino]pentanoic acid (CID 103253769) is 5-[(3-ethylcyclohexyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(3-ethylcyclohexyl)amino]pentanoic acid?
The canonical SMILES for 5-[(3-ethylcyclohexyl)amino]pentanoic acid is CCC1CCCC(NCCCCC(=O)O)C1.
What is the InChIKey of 5-[(3-ethylcyclohexyl)amino]pentanoic acid?
The InChIKey is KTFFGZOAQPVPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-11-6-5-7-12(10-11)14-9-4-3-8-13(15)16/h11-12,14H,2-10H2,1H3,(H,15,16).
What are the key properties of 5-[(3-ethylcyclohexyl)amino]pentanoic acid?
5-[(3-ethylcyclohexyl)amino]pentanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethylcyclohexyl)amino]pentanoic acid is sourced from PubChem (CID 103253769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).