1-[ethyl(2-hydroxyethyl)amino]tridecan-7-one

C17H35NO2 — CID 171836778

IUPAC1-[ethyl(2-hydroxyethyl)amino]tridecan-7-one
SMILESCCCCCCC(=O)CCCCCCN(CC)CCO
InChIInChI=1S/C17H35NO2/c1-3-5-6-9-12-17(20)13-10-7-8-11-14-18(4-2)15-16-19/h19H,3-16H2,1-2H3
InChIKeySCQRRMCPFLOKIG-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.79
Rot. Bonds15

About 1-[ethyl(2-hydroxyethyl)amino]tridecan-7-one

1-[ethyl(2-hydroxyethyl)amino]tridecan-7-one (PubChem CID 171836778) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 1-[ethyl(2-hydroxyethyl)amino]tridecan-7-one.

Molecular Properties

Compound Name1-[ethyl(2-hydroxyethyl)amino]tridecan-7-one
PubChem CID171836778
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name1-[ethyl(2-hydroxyethyl)amino]tridecan-7-one
SMILESCCCCCCC(=O)CCCCCCN(CC)CCO
InChIInChI=1S/C17H35NO2/c1-3-5-6-9-12-17(20)13-10-7-8-11-14-18(4-2)15-16-19/h19H,3-16H2,1-2H3
InChIKeySCQRRMCPFLOKIG-UHFFFAOYSA-N
XLogP3.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[ethyl(2-hydroxyethyl)amino]tridecan-7-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-[ethyl(nonyl)amino]ethanol
CID 62021397
1-[2-hydroxyethyl(6-nonoxyhexyl)amino]hexadecan-8-one
CID 170754920
2-[2-hydroxyethyl(4-oxopentadecyl)amino]acetic acid
CID 58572256
docosanoic acid;2-[2-hydroxyethyl(tetradecyl)amino]ethanol
CID 158369485
hexadecanoic acid;2-[2-hydroxyethyl(tetracosyl)amino]ethanol
CID 90146253
2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid
CID 158492988
2-[heptadecyl(2-hydroxyethyl)amino]ethanol;octadecanoic acid
CID 90146098
1-[2-hydroxyethyl(11-oxohexadecyl)amino]-6-octyltetradecan-4-one
CID 171836856
3-[ethyl(hexadecyl)amino]propan-1-ol
CID 138077517
1-hydroxyheptadecane-2,9-dione
CID 153452315
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2-hydroxyethyl)amino]tridecan-7-one?
The IUPAC name of 1-[ethyl(2-hydroxyethyl)amino]tridecan-7-one (CID 171836778) is 1-[ethyl(2-hydroxyethyl)amino]tridecan-7-one.
What is the SMILES notation for 1-[ethyl(2-hydroxyethyl)amino]tridecan-7-one?
The canonical SMILES for 1-[ethyl(2-hydroxyethyl)amino]tridecan-7-one is CCCCCCC(=O)CCCCCCN(CC)CCO.
What is the InChIKey of 1-[ethyl(2-hydroxyethyl)amino]tridecan-7-one?
The InChIKey is SCQRRMCPFLOKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-3-5-6-9-12-17(20)13-10-7-8-11-14-18(4-2)15-16-19/h19H,3-16H2,1-2H3.
What are the key properties of 1-[ethyl(2-hydroxyethyl)amino]tridecan-7-one?
1-[ethyl(2-hydroxyethyl)amino]tridecan-7-one has a molecular weight of 285.47 g/mol, XLogP of 3.79, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2-hydroxyethyl)amino]tridecan-7-one is sourced from PubChem (CID 171836778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).