3-aminoundecan-5-one

C11H23NO — CID 116609089

IUPAC3-aminoundecan-5-one
SMILESCCCCCCC(=O)CC(N)CC
InChIInChI=1S/C11H23NO/c1-3-5-6-7-8-11(13)9-10(12)4-2/h10H,3-9,12H2,1-2H3
InChIKeyCVYSWRIAYGHQEP-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.65
Rot. Bonds8

About 3-aminoundecan-5-one

3-aminoundecan-5-one (PubChem CID 116609089) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-aminoundecan-5-one.

Molecular Properties

Compound Name3-aminoundecan-5-one
PubChem CID116609089
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-aminoundecan-5-one
SMILESCCCCCCC(=O)CC(N)CC
InChIInChI=1S/C11H23NO/c1-3-5-6-7-8-11(13)9-10(12)4-2/h10H,3-9,12H2,1-2H3
InChIKeyCVYSWRIAYGHQEP-UHFFFAOYSA-N
XLogP2.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Aminotridecan-4-one;hydrochloride
CID 57391490
1-Deoxy-3-dehydrosphinganine
CID 9878914
(3S)-3-aminotridecan-4-one;hydrochloride
CID 71457228
8-Aminooctan-4-one
CID 25202393
(3S)-3,7-diaminoheptan-2-one
CID 5288718
5-Ketooctylamine
CID 25202394
3-Aminotridecan-4-one
CID 44216782
1-Deoxy-3-dehydrosphinganine(1+)
CID 58743253
2-Aminocyclooctanone
CID 420352
3-Aminooctan-2-one--hydrogen chloride (1/1)
CID 13478908
2-Aminohexadecan-3-one
CID 17973409
8-Aminooctan-2-one hydrochloride
CID 121553491

Frequently Asked Questions

What is the IUPAC name of 3-aminoundecan-5-one?
The IUPAC name of 3-aminoundecan-5-one (CID 116609089) is 3-aminoundecan-5-one.
What is the SMILES notation for 3-aminoundecan-5-one?
The canonical SMILES for 3-aminoundecan-5-one is CCCCCCC(=O)CC(N)CC.
What is the InChIKey of 3-aminoundecan-5-one?
The InChIKey is CVYSWRIAYGHQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-5-6-7-8-11(13)9-10(12)4-2/h10H,3-9,12H2,1-2H3.
What are the key properties of 3-aminoundecan-5-one?
3-aminoundecan-5-one has a molecular weight of 185.31 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoundecan-5-one is sourced from PubChem (CID 116609089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).