2-aminoundecan-6-one

C11H23NO — CID 116610207

IUPAC2-aminoundecan-6-one
SMILESCCCCCC(=O)CCCC(C)N
InChIInChI=1S/C11H23NO/c1-3-4-5-8-11(13)9-6-7-10(2)12/h10H,3-9,12H2,1-2H3
InChIKeyNCSFNVWFTWTLEF-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.65
Rot. Bonds8

About 2-aminoundecan-6-one

2-aminoundecan-6-one (PubChem CID 116610207) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-aminoundecan-6-one.

Molecular Properties

Compound Name2-aminoundecan-6-one
PubChem CID116610207
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-aminoundecan-6-one
SMILESCCCCCC(=O)CCCC(C)N
InChIInChI=1S/C11H23NO/c1-3-4-5-8-11(13)9-6-7-10(2)12/h10H,3-9,12H2,1-2H3
InChIKeyNCSFNVWFTWTLEF-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'}

Analyze 2-aminoundecan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylundecan-6-one
CID 86122551
bis(hexan-2-amine);hexanedioic acid
CID 174667104
2-methyltetradecan-5-one
CID 19931308
carbamic acid;undecan-2-amine
CID 175209089
35-methylhexatriacontan-18-one
CID 154265958
10,10-diaminodecan-5-one
CID 87142350
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
nonadecan-7-one
CID 12913434
pentacosane-7,19-dione
CID 139254510
nonatriacontane-8,29-dione
CID 150237018
octacosan-8-one
CID 86052342

Frequently Asked Questions

What is the IUPAC name of 2-aminoundecan-6-one?
The IUPAC name of 2-aminoundecan-6-one (CID 116610207) is 2-aminoundecan-6-one.
What is the SMILES notation for 2-aminoundecan-6-one?
The canonical SMILES for 2-aminoundecan-6-one is CCCCCC(=O)CCCC(C)N.
What is the InChIKey of 2-aminoundecan-6-one?
The InChIKey is NCSFNVWFTWTLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-4-5-8-11(13)9-6-7-10(2)12/h10H,3-9,12H2,1-2H3.
What are the key properties of 2-aminoundecan-6-one?
2-aminoundecan-6-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 2-aminoundecan-6-one is sourced from PubChem (CID 116610207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).