3-aminoundecanamide

C11H24N2O — CID 154005326

IUPAC3-aminoundecanamide
SMILESCCCCCCCCC(N)CC(N)=O
InChIInChI=1S/C11H24N2O/c1-2-3-4-5-6-7-8-10(12)9-11(13)14/h10H,2-9,12H2,1H3,(H2,13,14)
InChIKeyKHIQKQQWFUQOFV-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.94
Rot. Bonds9

About 3-aminoundecanamide

3-aminoundecanamide (PubChem CID 154005326) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-aminoundecanamide.

Molecular Properties

Compound Name3-aminoundecanamide
PubChem CID154005326
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-aminoundecanamide
SMILESCCCCCCCCC(N)CC(N)=O
InChIInChI=1S/C11H24N2O/c1-2-3-4-5-6-7-8-10(12)9-11(13)14/h10H,2-9,12H2,1H3,(H2,13,14)
InChIKeyKHIQKQQWFUQOFV-UHFFFAOYSA-N
XLogP1.94
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.94
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

3-aminononanoic acid
CID 2832746
3-tetradecylheptadecanamide
CID 89491134
(3S)-3,7-diaminoheptanamide
CID 165481888
sodium;3-aminohenicosanoic acid;hydride
CID 175144455
methyl (3S)-3-aminotetradecanoate
CID 162514819
butyl 3-aminooctanoate
CID 87883876
acetic acid;heptatriacontan-19-amine
CID 173373447
3-propyloctanamide
CID 87886173
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
acetic acid;decan-3-amine
CID 87798591
carbamic acid;undecan-2-amine
CID 175209089

Frequently Asked Questions

What is the IUPAC name of 3-aminoundecanamide?
The IUPAC name of 3-aminoundecanamide (CID 154005326) is 3-aminoundecanamide.
What is the SMILES notation for 3-aminoundecanamide?
The canonical SMILES for 3-aminoundecanamide is CCCCCCCCC(N)CC(N)=O.
What is the InChIKey of 3-aminoundecanamide?
The InChIKey is KHIQKQQWFUQOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-2-3-4-5-6-7-8-10(12)9-11(13)14/h10H,2-9,12H2,1H3,(H2,13,14).
What are the key properties of 3-aminoundecanamide?
3-aminoundecanamide has a molecular weight of 200.33 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoundecanamide is sourced from PubChem (CID 154005326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).