4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid

C12H21NO2 — CID 62324339

IUPAC4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid
SMILESO=C(O)CCCNCCC1=CCCCC1
InChIInChI=1S/C12H21NO2/c14-12(15)7-4-9-13-10-8-11-5-2-1-3-6-11/h5,13H,1-4,6-10H2,(H,14,15)
InChIKeyNLCZPGHWSHNLAR-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.33
Rot. Bonds7

About 4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid

4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid (PubChem CID 62324339) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid
PubChem CID62324339
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid
SMILESO=C(O)CCCNCCC1=CCCCC1
InChIInChI=1S/C12H21NO2/c14-12(15)7-4-9-13-10-8-11-5-2-1-3-6-11/h5,13H,1-4,6-10H2,(H,14,15)
InChIKeyNLCZPGHWSHNLAR-UHFFFAOYSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid
CID 106173967
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine
CID 79003964
5-[2-(cyclohexen-1-yl)ethylamino]-N'-hydroxypentanimidamide
CID 77029656
N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide
CID 109014685
7-(cyclopenten-1-yl)heptanoic acid
CID 23035884
N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
CID 109014814
5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 106177489
N-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine
CID 103096944
4-[3-[2-(cyclohexen-1-yl)ethylamino]propanoyl]piperazine-1-carbaldehyde
CID 109014811
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 4277806
6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid
CID 63565537

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid?
The IUPAC name of 4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid (CID 62324339) is 4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid is O=C(O)CCCNCCC1=CCCCC1.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid?
The InChIKey is NLCZPGHWSHNLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-12(15)7-4-9-13-10-8-11-5-2-1-3-6-11/h5,13H,1-4,6-10H2,(H,14,15).
What are the key properties of 4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid?
4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid has a molecular weight of 211.30 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid is sourced from PubChem (CID 62324339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).