2-methyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one

C12H23NO2 — CID 116587700

IUPAC2-methyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one
SMILESCCCNC1COCC1C(=O)C(C)CC
InChIInChI=1S/C12H23NO2/c1-4-6-13-11-8-15-7-10(11)12(14)9(3)5-2/h9-11,13H,4-8H2,1-3H3
InChIKeyUQHQQXSJYRBXEK-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.62
Rot. Bonds6

About 2-methyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one

2-methyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one (PubChem CID 116587700) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-methyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one
PubChem CID116587700
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-methyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one
SMILESCCCNC1COCC1C(=O)C(C)CC
InChIInChI=1S/C12H23NO2/c1-4-6-13-11-8-15-7-10(11)12(14)9(3)5-2/h9-11,13H,4-8H2,1-3H3
InChIKeyUQHQQXSJYRBXEK-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[4-(propylamino)oxolan-3-yl]butan-1-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-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one
CID 116587663
N-propan-2-yl-4-(propylamino)oxolane-3-carboxamide
CID 66254772
methyl 4-(propylamino)oxolane-3-carboxylate
CID 66252301
(2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66255015
cyclopropyl-[4-(propylamino)oxolan-3-yl]methanone
CID 116587886
N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide
CID 107221302
1-[4-(propylamino)oxolan-3-yl]pentan-1-one
CID 116587714
2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66255984
(2S)-3-hydroxy-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66254627
ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate
CID 66257122
2-ethyl-1-[4-(ethylamino)oxolan-3-yl]butan-1-one
CID 116588173
1-[4-(propylamino)oxolan-3-yl]undecan-1-one
CID 116587751

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one?
The IUPAC name of 2-methyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one (CID 116587700) is 2-methyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one?
The canonical SMILES for 2-methyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one is CCCNC1COCC1C(=O)C(C)CC.
What is the InChIKey of 2-methyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one?
The InChIKey is UQHQQXSJYRBXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-6-13-11-8-15-7-10(11)12(14)9(3)5-2/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one?
2-methyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one has a molecular weight of 213.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one is sourced from PubChem (CID 116587700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).