4-(cyclohexylmethylamino)butanoic acid

C11H21NO2 — CID 24705289

IUPAC4-(cyclohexylmethylamino)butanoic acid
SMILESO=C(O)CCCNCC1CCCCC1
InChIInChI=1S/C11H21NO2/c13-11(14)7-4-8-12-9-10-5-2-1-3-6-10/h10,12H,1-9H2,(H,13,14)
InChIKeyGVIWCZMSIOHTRY-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.02
Rot. Bonds6

About 4-(cyclohexylmethylamino)butanoic acid

4-(cyclohexylmethylamino)butanoic acid (PubChem CID 24705289) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-(cyclohexylmethylamino)butanoic acid.

Molecular Properties

Compound Name4-(cyclohexylmethylamino)butanoic acid
PubChem CID24705289
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-(cyclohexylmethylamino)butanoic acid
SMILESO=C(O)CCCNCC1CCCCC1
InChIInChI=1S/C11H21NO2/c13-11(14)7-4-8-12-9-10-5-2-1-3-6-10/h10,12H,1-9H2,(H,13,14)
InChIKeyGVIWCZMSIOHTRY-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.02
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-(cyclopropylmethylamino)butanoic acid
CID 43377785
4-(cycloheptylmethylcarbamoylamino)butanoic acid
CID 122016431
5-(cycloheptylmethylamino)pentanamide
CID 106233402
5-(3-cyclopentylpropylamino)pentanoic acid
CID 106004168
4-(cyclobutylmethylamino)-N-cyclopropylbutanamide
CID 79393715
4-[3-(cyclohexylamino)propylamino]butanoic acid
CID 135231952
5-(thian-4-ylmethylamino)pentanoic acid
CID 103264300
4-(oxan-2-ylmethylamino)butanoic acid
CID 43473562
7-(cyclohexylmethylcarbamoylamino)heptanoic acid
CID 61197262
N-(cycloheptylmethyl)-3-cyclopentylpropan-1-amine
CID 106008062
3-(cyclooctylmethylamino)propan-1-ol
CID 115674336
4-(oxolan-3-ylmethylamino)butanoic acid
CID 60782844

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethylamino)butanoic acid?
The IUPAC name of 4-(cyclohexylmethylamino)butanoic acid (CID 24705289) is 4-(cyclohexylmethylamino)butanoic acid.
What is the SMILES notation for 4-(cyclohexylmethylamino)butanoic acid?
The canonical SMILES for 4-(cyclohexylmethylamino)butanoic acid is O=C(O)CCCNCC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethylamino)butanoic acid?
The InChIKey is GVIWCZMSIOHTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c13-11(14)7-4-8-12-9-10-5-2-1-3-6-10/h10,12H,1-9H2,(H,13,14).
What are the key properties of 4-(cyclohexylmethylamino)butanoic acid?
4-(cyclohexylmethylamino)butanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethylamino)butanoic acid is sourced from PubChem (CID 24705289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).