1-(propylamino)tetradecan-2-one

C17H35NO — CID 116562895

IUPAC1-(propylamino)tetradecan-2-one
SMILESCCCCCCCCCCCCC(=O)CNCCC
InChIInChI=1S/C17H35NO/c1-3-5-6-7-8-9-10-11-12-13-14-17(19)16-18-15-4-2/h18H,3-16H2,1-2H3
InChIKeyMCBSFACYAMAVPK-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.87
Rot. Bonds15

About 1-(propylamino)tetradecan-2-one

1-(propylamino)tetradecan-2-one (PubChem CID 116562895) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 1-(propylamino)tetradecan-2-one.

Molecular Properties

Compound Name1-(propylamino)tetradecan-2-one
PubChem CID116562895
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name1-(propylamino)tetradecan-2-one
SMILESCCCCCCCCCCCCC(=O)CNCCC
InChIInChI=1S/C17H35NO/c1-3-5-6-7-8-9-10-11-12-13-14-17(19)16-18-15-4-2/h18H,3-16H2,1-2H3
InChIKeyMCBSFACYAMAVPK-UHFFFAOYSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(propylamino)tetradecan-2-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

1-(2-methoxyethylamino)tetradecan-2-one
CID 116591607
potassium 3-(2-oxononadecylamino)propanoate
CID 139910569
2-(2-oxodecylamino)ethanesulfonic acid
CID 167430705
2-(2-oxotridecylamino)ethanesulfonate
CID 18364665
CID 172852478
CID 172852478
sodium 2-(2-oxotridecylamino)ethanesulfonate
CID 23688150
sodium 2-(2-oxopentadecylamino)acetate
CID 87777451
1-(prop-2-ynylamino)undecan-2-one
CID 116589334
heptacosane-10,12-dione
CID 14235516
1-(butylamino)nonadecan-4-one
CID 156784591
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888

Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)tetradecan-2-one?
The IUPAC name of 1-(propylamino)tetradecan-2-one (CID 116562895) is 1-(propylamino)tetradecan-2-one.
What is the SMILES notation for 1-(propylamino)tetradecan-2-one?
The canonical SMILES for 1-(propylamino)tetradecan-2-one is CCCCCCCCCCCCC(=O)CNCCC.
What is the InChIKey of 1-(propylamino)tetradecan-2-one?
The InChIKey is MCBSFACYAMAVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-3-5-6-7-8-9-10-11-12-13-14-17(19)16-18-15-4-2/h18H,3-16H2,1-2H3.
What are the key properties of 1-(propylamino)tetradecan-2-one?
1-(propylamino)tetradecan-2-one has a molecular weight of 269.47 g/mol, XLogP of 4.87, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)tetradecan-2-one is sourced from PubChem (CID 116562895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).