ethane;(1-propan-2-ylazetidin-3-yl)methanol

C9H21NO — CID 156813140

IUPACethane;(1-propan-2-ylazetidin-3-yl)methanol
SMILESCC.CC(C)N1CC(CO)C1
InChIInChI=1S/C7H15NO.C2H6/c1-6(2)8-3-7(4-8)5-9;1-2/h6-7,9H,3-5H2,1-2H3;1-2H3
InChIKeyAYUGLXMLHYCVMZ-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.35
Rot. Bonds2

About ethane;(1-propan-2-ylazetidin-3-yl)methanol

ethane;(1-propan-2-ylazetidin-3-yl)methanol (PubChem CID 156813140) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is ethane;(1-propan-2-ylazetidin-3-yl)methanol.

Molecular Properties

Compound Nameethane;(1-propan-2-ylazetidin-3-yl)methanol
PubChem CID156813140
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Nameethane;(1-propan-2-ylazetidin-3-yl)methanol
SMILESCC.CC(C)N1CC(CO)C1
InChIInChI=1S/C7H15NO.C2H6/c1-6(2)8-3-7(4-8)5-9;1-2/h6-7,9H,3-5H2,1-2H3;1-2H3
InChIKeyAYUGLXMLHYCVMZ-UHFFFAOYSA-N
XLogP1.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;(1-propan-2-ylazetidin-3-yl)methanol 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-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
3-(fluoromethyl)-1-propan-2-ylazetidine
CID 118375071
[2-amino-1,3-di(propan-2-yl)-1,3-diazinan-5-yl]methanol
CID 141074035
1-propan-2-ylazetidin-3-amine;hydrochloride
CID 134588428
(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)methanol
CID 162704145
3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one
CID 147367258
ethane;5-(1-propan-2-ylazetidin-3-yl)pentan-1-amine
CID 145006733
N-[(1-propan-2-ylazetidin-3-yl)methyl]acetamide
CID 90251686
3-methyl-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine
CID 170373804
3-(ethoxymethyl)-1-propan-2-ylazetidine
CID 89024945
3-(3,3-dimethylbutyl)-1-propan-2-ylazetidine
CID 176760635

Frequently Asked Questions

What is the IUPAC name of ethane;(1-propan-2-ylazetidin-3-yl)methanol?
The IUPAC name of ethane;(1-propan-2-ylazetidin-3-yl)methanol (CID 156813140) is ethane;(1-propan-2-ylazetidin-3-yl)methanol.
What is the SMILES notation for ethane;(1-propan-2-ylazetidin-3-yl)methanol?
The canonical SMILES for ethane;(1-propan-2-ylazetidin-3-yl)methanol is CC.CC(C)N1CC(CO)C1.
What is the InChIKey of ethane;(1-propan-2-ylazetidin-3-yl)methanol?
The InChIKey is AYUGLXMLHYCVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2H6/c1-6(2)8-3-7(4-8)5-9;1-2/h6-7,9H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;(1-propan-2-ylazetidin-3-yl)methanol?
ethane;(1-propan-2-ylazetidin-3-yl)methanol has a molecular weight of 159.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1-propan-2-ylazetidin-3-yl)methanol is sourced from PubChem (CID 156813140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).