1-(3-aminobutan-2-yl)-3-propan-2-ylazetidin-3-ol

C10H22N2O — CID 131071118

IUPAC1-(3-aminobutan-2-yl)-3-propan-2-ylazetidin-3-ol
SMILESCC(N)C(C)N1CC(O)(C(C)C)C1
InChIInChI=1S/C10H22N2O/c1-7(2)10(13)5-12(6-10)9(4)8(3)11/h7-9,13H,5-6,11H2,1-4H3
InChIKeyVRZIFBOGIRXRDK-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.42
Rot. Bonds3

About 1-(3-aminobutan-2-yl)-3-propan-2-ylazetidin-3-ol

1-(3-aminobutan-2-yl)-3-propan-2-ylazetidin-3-ol (PubChem CID 131071118) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(3-aminobutan-2-yl)-3-propan-2-ylazetidin-3-ol.

Molecular Properties

Compound Name1-(3-aminobutan-2-yl)-3-propan-2-ylazetidin-3-ol
PubChem CID131071118
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-(3-aminobutan-2-yl)-3-propan-2-ylazetidin-3-ol
SMILESCC(N)C(C)N1CC(O)(C(C)C)C1
InChIInChI=1S/C10H22N2O/c1-7(2)10(13)5-12(6-10)9(4)8(3)11/h7-9,13H,5-6,11H2,1-4H3
InChIKeyVRZIFBOGIRXRDK-UHFFFAOYSA-N
XLogP0.42
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-aminobutan-2-yl)-3-propan-2-ylazetidin-3-ol 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

methyl 3-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-methylbutanoate
CID 79414347
3-(2-azaspiro[3.4]octan-2-yl)butan-2-amine
CID 130963997
(2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one
CID 107220086
1,3-di(propan-2-yl)pyrrolidin-3-ol
CID 171831461
(2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-3-methylbutan-1-one
CID 107220163
1-(3-aminobutan-2-yl)-4,4-dimethylpyrrolidin-3-ol
CID 131091885
1-(3-aminocyclobutyl)-3-propan-2-ylazetidin-3-ol
CID 130906321
1-(4-amino-2,2-dimethylpentan-3-yl)-3-methylazetidin-3-ol
CID 131042951
3-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-methylpentan-1-one
CID 107220182
1-methanidyl-3-propan-2-ylpyrrolidin-3-ol
CID 59704491
2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)ethanimidamide
CID 130948576
3-[(1S)-1-aminoethyl]-1-phosphanylazetidin-3-ol
CID 59469098

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobutan-2-yl)-3-propan-2-ylazetidin-3-ol?
The IUPAC name of 1-(3-aminobutan-2-yl)-3-propan-2-ylazetidin-3-ol (CID 131071118) is 1-(3-aminobutan-2-yl)-3-propan-2-ylazetidin-3-ol.
What is the SMILES notation for 1-(3-aminobutan-2-yl)-3-propan-2-ylazetidin-3-ol?
The canonical SMILES for 1-(3-aminobutan-2-yl)-3-propan-2-ylazetidin-3-ol is CC(N)C(C)N1CC(O)(C(C)C)C1.
What is the InChIKey of 1-(3-aminobutan-2-yl)-3-propan-2-ylazetidin-3-ol?
The InChIKey is VRZIFBOGIRXRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-7(2)10(13)5-12(6-10)9(4)8(3)11/h7-9,13H,5-6,11H2,1-4H3.
What are the key properties of 1-(3-aminobutan-2-yl)-3-propan-2-ylazetidin-3-ol?
1-(3-aminobutan-2-yl)-3-propan-2-ylazetidin-3-ol has a molecular weight of 186.30 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobutan-2-yl)-3-propan-2-ylazetidin-3-ol is sourced from PubChem (CID 131071118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).