1-[ethyl(nonyl)amino]propan-2-one

C14H29NO — CID 156818313

IUPAC1-[ethyl(nonyl)amino]propan-2-one
SMILESCCCCCCCCCN(CC)CC(C)=O
InChIInChI=1S/C14H29NO/c1-4-6-7-8-9-10-11-12-15(5-2)13-14(3)16/h4-13H2,1-3H3
InChIKeyKZQRKLNOXDAHNJ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.65
Rot. Bonds11

About 1-[ethyl(nonyl)amino]propan-2-one

1-[ethyl(nonyl)amino]propan-2-one (PubChem CID 156818313) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-[ethyl(nonyl)amino]propan-2-one.

Molecular Properties

Compound Name1-[ethyl(nonyl)amino]propan-2-one
PubChem CID156818313
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-[ethyl(nonyl)amino]propan-2-one
SMILESCCCCCCCCCN(CC)CC(C)=O
InChIInChI=1S/C14H29NO/c1-4-6-7-8-9-10-11-12-15(5-2)13-14(3)16/h4-13H2,1-3H3
InChIKeyKZQRKLNOXDAHNJ-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[ethyl(nonyl)amino]propan-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

acetic acid;N,N-didodecyldodecan-1-amine
CID 173289762
ethyl 2-[ethyl(heptyl)amino]acetate
CID 55208036
4-[ethyl(pentyl)amino]butanamide
CID 57048694
2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid
CID 134601961
2-[di(pentadecyl)amino]acetic acid
CID 101313622
2-[carboxymethyl(hexyl)amino]acetic acid
CID 23422372
1-[2-aminoethyl(butyl)amino]propan-2-one
CID 134504984
3-[ethyl(hexadecyl)amino]propanoic acid
CID 58963935
3-[dodecyl(ethyl)amino]propanoic acid
CID 62065544
2-[butyl(ethyl)amino]acetyl chloride
CID 39254442
2-[carboxylatomethyl(hexadecyl)amino]acetate
CID 59297428
[hexyl(hydroxymethyl)amino]methanol
CID 18004283

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(nonyl)amino]propan-2-one?
The IUPAC name of 1-[ethyl(nonyl)amino]propan-2-one (CID 156818313) is 1-[ethyl(nonyl)amino]propan-2-one.
What is the SMILES notation for 1-[ethyl(nonyl)amino]propan-2-one?
The canonical SMILES for 1-[ethyl(nonyl)amino]propan-2-one is CCCCCCCCCN(CC)CC(C)=O.
What is the InChIKey of 1-[ethyl(nonyl)amino]propan-2-one?
The InChIKey is KZQRKLNOXDAHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-6-7-8-9-10-11-12-15(5-2)13-14(3)16/h4-13H2,1-3H3.
What are the key properties of 1-[ethyl(nonyl)amino]propan-2-one?
1-[ethyl(nonyl)amino]propan-2-one has a molecular weight of 227.39 g/mol, XLogP of 3.65, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(nonyl)amino]propan-2-one is sourced from PubChem (CID 156818313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).