1-[2-aminoethyl(butyl)amino]propan-2-one

C9H20N2O — CID 134504984

IUPAC1-[2-aminoethyl(butyl)amino]propan-2-one
SMILESCCCCN(CCN)CC(C)=O
InChIInChI=1S/C9H20N2O/c1-3-4-6-11(7-5-10)8-9(2)12/h3-8,10H2,1-2H3
InChIKeyFRAUFXHMLJMDSW-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.64
Rot. Bonds7

About 1-[2-aminoethyl(butyl)amino]propan-2-one

1-[2-aminoethyl(butyl)amino]propan-2-one (PubChem CID 134504984) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-[2-aminoethyl(butyl)amino]propan-2-one.

Molecular Properties

Compound Name1-[2-aminoethyl(butyl)amino]propan-2-one
PubChem CID134504984
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-[2-aminoethyl(butyl)amino]propan-2-one
SMILESCCCCN(CCN)CC(C)=O
InChIInChI=1S/C9H20N2O/c1-3-4-6-11(7-5-10)8-9(2)12/h3-8,10H2,1-2H3
InChIKeyFRAUFXHMLJMDSW-UHFFFAOYSA-N
XLogP0.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-aminoethyl(butyl)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

1-[ethyl(nonyl)amino]propan-2-one
CID 156818313
2-[2-aminoethyl(butyl)amino]-N-cyclopropyl-N-ethylacetamide
CID 55241234
2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone
CID 63761864
2-[2-aminoethyl(butyl)amino]-1-morpholin-4-ylethanone
CID 63758934
1-[butyl(methyl)amino]propan-2-one
CID 43219631
4-(dibutylamino)butanamide
CID 57071614
N'-(2-aminoethyl)-N'-hexylethane-1,2-diamine
CID 62923108
2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid
CID 153111880
acetyl 2-(dibutylamino)acetate
CID 87791730
2-[3-aminopropyl(propyl)amino]acetic acid
CID 63652854
N',N'-dibutylpropane-1,3-diamine;ethane
CID 170746351
acetic acid;N',N'-diethylethane-1,2-diamine
CID 175226296

Frequently Asked Questions

What is the IUPAC name of 1-[2-aminoethyl(butyl)amino]propan-2-one?
The IUPAC name of 1-[2-aminoethyl(butyl)amino]propan-2-one (CID 134504984) is 1-[2-aminoethyl(butyl)amino]propan-2-one.
What is the SMILES notation for 1-[2-aminoethyl(butyl)amino]propan-2-one?
The canonical SMILES for 1-[2-aminoethyl(butyl)amino]propan-2-one is CCCCN(CCN)CC(C)=O.
What is the InChIKey of 1-[2-aminoethyl(butyl)amino]propan-2-one?
The InChIKey is FRAUFXHMLJMDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-4-6-11(7-5-10)8-9(2)12/h3-8,10H2,1-2H3.
What are the key properties of 1-[2-aminoethyl(butyl)amino]propan-2-one?
1-[2-aminoethyl(butyl)amino]propan-2-one has a molecular weight of 172.27 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-aminoethyl(butyl)amino]propan-2-one is sourced from PubChem (CID 134504984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).