12-aminododec-1-en-6-one

C12H23NO — CID 116551538

IUPAC12-aminododec-1-en-6-one
SMILESC=CCCCC(=O)CCCCCCN
InChIInChI=1S/C12H23NO/c1-2-3-6-9-12(14)10-7-4-5-8-11-13/h2H,1,3-11,13H2
InChIKeyOATUKXAONPGKJT-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.82
Rot. Bonds10

About 12-aminododec-1-en-6-one

12-aminododec-1-en-6-one (PubChem CID 116551538) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 12-aminododec-1-en-6-one.

Molecular Properties

Compound Name12-aminododec-1-en-6-one
PubChem CID116551538
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name12-aminododec-1-en-6-one
SMILESC=CCCCC(=O)CCCCCCN
InChIInChI=1S/C12H23NO/c1-2-3-6-9-12(14)10-7-4-5-8-11-13/h2H,1,3-11,13H2
InChIKeyOATUKXAONPGKJT-UHFFFAOYSA-N
XLogP2.82
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
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

tricosa-1,22-dien-12-one
CID 86210796
heptadec-16-en-1-amine
CID 15590771
pentacos-1-en-11-one
CID 21420755
hexadec-15-en-5-one
CID 91482743
pentadec-14-en-7-one
CID 11528685
tricos-1-en-11-one
CID 146680996
docos-21-en-1-amine;hydrochloride
CID 153323410
non-8-en-4-one
CID 11137251
nonadec-18-enamide
CID 166991988
12-amino-7-oxododecanoic acid
CID 4206597
7-amino-1-hydroxyheptan-2-one
CID 58492627
pentadec-14-enoyl bromide
CID 155164033

Frequently Asked Questions

What is the IUPAC name of 12-aminododec-1-en-6-one?
The IUPAC name of 12-aminododec-1-en-6-one (CID 116551538) is 12-aminododec-1-en-6-one.
What is the SMILES notation for 12-aminododec-1-en-6-one?
The canonical SMILES for 12-aminododec-1-en-6-one is C=CCCCC(=O)CCCCCCN.
What is the InChIKey of 12-aminododec-1-en-6-one?
The InChIKey is OATUKXAONPGKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-6-9-12(14)10-7-4-5-8-11-13/h2H,1,3-11,13H2.
What are the key properties of 12-aminododec-1-en-6-one?
12-aminododec-1-en-6-one has a molecular weight of 197.32 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-aminododec-1-en-6-one is sourced from PubChem (CID 116551538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).