1-[[(2S)-1-aminopropan-2-yl]-ethylamino]butan-2-one

C9H20N2O — CID 89221095

IUPAC1-[[(2S)-1-aminopropan-2-yl]-ethylamino]butan-2-one
SMILESCCC(=O)CN(CC)[C@@H](C)CN
InChIInChI=1S/C9H20N2O/c1-4-9(12)7-11(5-2)8(3)6-10/h8H,4-7,10H2,1-3H3/t8-/m0/s1
InChIKeyRDLWQZXRUMFWSH-QMMMGPOBSA-N
MW172.27 g/mol
LogP0.63
Rot. Bonds6

About 1-[[(2S)-1-aminopropan-2-yl]-ethylamino]butan-2-one

1-[[(2S)-1-aminopropan-2-yl]-ethylamino]butan-2-one (PubChem CID 89221095) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-[[(2S)-1-aminopropan-2-yl]-ethylamino]butan-2-one.

Molecular Properties

Compound Name1-[[(2S)-1-aminopropan-2-yl]-ethylamino]butan-2-one
PubChem CID89221095
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-[[(2S)-1-aminopropan-2-yl]-ethylamino]butan-2-one
SMILESCCC(=O)CN(CC)[C@@H](C)CN
InChIInChI=1S/C9H20N2O/c1-4-9(12)7-11(5-2)8(3)6-10/h8H,4-7,10H2,1-3H3/t8-/m0/s1
InChIKeyRDLWQZXRUMFWSH-QMMMGPOBSA-N
XLogP0.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[(2S)-1-aminopropan-2-yl]-ethylamino]butan-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

2-N-ethyl-2-N-propylpropane-1,2-diamine
CID 43268522
ethyl 4-[butan-2-yl(ethyl)amino]-3-oxobutanoate
CID 63897925
1-[amino(methyl)amino]butan-2-one
CID 146213557
(2S)-2-(diethylamino)propanoic acid
CID 18664197
2-[ethyl(propan-2-yl)amino]acetamide
CID 22371770
1-aminopropan-2-yl(ethyl)carbamic acid
CID 134540126
(2S)-2-N-(2,2-difluoroethyl)-2-N-ethylpropane-1,2-diamine
CID 86775689
1-[butan-2-yl(methyl)amino]butan-2-one
CID 62039500
1-[bis(2-oxobutyl)amino]-3-methylbutan-2-one
CID 135280790
N-acetyl-N-(1-aminopropan-2-yl)acetamide
CID 71330425
ethyl 5-[ethyl(propan-2-yl)amino]-4-oxopentanoate
CID 103484141
2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
CID 61377871

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-1-aminopropan-2-yl]-ethylamino]butan-2-one?
The IUPAC name of 1-[[(2S)-1-aminopropan-2-yl]-ethylamino]butan-2-one (CID 89221095) is 1-[[(2S)-1-aminopropan-2-yl]-ethylamino]butan-2-one.
What is the SMILES notation for 1-[[(2S)-1-aminopropan-2-yl]-ethylamino]butan-2-one?
The canonical SMILES for 1-[[(2S)-1-aminopropan-2-yl]-ethylamino]butan-2-one is CCC(=O)CN(CC)[C@@H](C)CN.
What is the InChIKey of 1-[[(2S)-1-aminopropan-2-yl]-ethylamino]butan-2-one?
The InChIKey is RDLWQZXRUMFWSH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-9(12)7-11(5-2)8(3)6-10/h8H,4-7,10H2,1-3H3/t8-/m0/s1.
What are the key properties of 1-[[(2S)-1-aminopropan-2-yl]-ethylamino]butan-2-one?
1-[[(2S)-1-aminopropan-2-yl]-ethylamino]butan-2-one has a molecular weight of 172.27 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-1-aminopropan-2-yl]-ethylamino]butan-2-one is sourced from PubChem (CID 89221095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).