4-[cyclobutyl(methyl)amino]butan-2-ol

C9H19NO — CID 90708030

IUPAC4-[cyclobutyl(methyl)amino]butan-2-ol
SMILESCC(O)CCN(C)C1CCC1
InChIInChI=1S/C9H19NO/c1-8(11)6-7-10(2)9-4-3-5-9/h8-9,11H,3-7H2,1-2H3
InChIKeyFPRGTGXUTQRTMQ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.24
Rot. Bonds4

About 4-[cyclobutyl(methyl)amino]butan-2-ol

4-[cyclobutyl(methyl)amino]butan-2-ol (PubChem CID 90708030) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-[cyclobutyl(methyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[cyclobutyl(methyl)amino]butan-2-ol
PubChem CID90708030
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-[cyclobutyl(methyl)amino]butan-2-ol
SMILESCC(O)CCN(C)C1CCC1
InChIInChI=1S/C9H19NO/c1-8(11)6-7-10(2)9-4-3-5-9/h8-9,11H,3-7H2,1-2H3
InChIKeyFPRGTGXUTQRTMQ-UHFFFAOYSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[cyclobutyl(methyl)amino]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutyl(methyl)amino]butan-2-ol?
The IUPAC name of 4-[cyclobutyl(methyl)amino]butan-2-ol (CID 90708030) is 4-[cyclobutyl(methyl)amino]butan-2-ol.
What is the SMILES notation for 4-[cyclobutyl(methyl)amino]butan-2-ol?
The canonical SMILES for 4-[cyclobutyl(methyl)amino]butan-2-ol is CC(O)CCN(C)C1CCC1.
What is the InChIKey of 4-[cyclobutyl(methyl)amino]butan-2-ol?
The InChIKey is FPRGTGXUTQRTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(11)6-7-10(2)9-4-3-5-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 4-[cyclobutyl(methyl)amino]butan-2-ol?
4-[cyclobutyl(methyl)amino]butan-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutyl(methyl)amino]butan-2-ol is sourced from PubChem (CID 90708030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).