2-[cyclobutyl(methyl)amino]butane-1,4-diol

C9H19NO2 — CID 58974334

IUPAC2-[cyclobutyl(methyl)amino]butane-1,4-diol
SMILESCN(C(CO)CCO)C1CCC1
InChIInChI=1S/C9H19NO2/c1-10(8-3-2-4-8)9(7-12)5-6-11/h8-9,11-12H,2-7H2,1H3
InChIKeyQTSMIMAVDRSIJH-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.21
Rot. Bonds5

About 2-[cyclobutyl(methyl)amino]butane-1,4-diol

2-[cyclobutyl(methyl)amino]butane-1,4-diol (PubChem CID 58974334) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[cyclobutyl(methyl)amino]butane-1,4-diol.

Molecular Properties

Compound Name2-[cyclobutyl(methyl)amino]butane-1,4-diol
PubChem CID58974334
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-[cyclobutyl(methyl)amino]butane-1,4-diol
SMILESCN(C(CO)CCO)C1CCC1
InChIInChI=1S/C9H19NO2/c1-10(8-3-2-4-8)9(7-12)5-6-11/h8-9,11-12H,2-7H2,1H3
InChIKeyQTSMIMAVDRSIJH-UHFFFAOYSA-N
XLogP0.21
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-[cycloheptyl(methyl)amino]propan-1-ol
CID 104710851
1-[cyclopentyl(methyl)amino]propan-1-ol
CID 175919705
4-[cycloheptyl(methyl)amino]-3-(ethylamino)butan-1-ol
CID 64897532
2-N-cyclohexyl-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83043219
1-[cyclohexyl(methyl)amino]ethanethiol
CID 88653649
3-[cyclopentyl(methyl)amino]pentanenitrile
CID 43267163
2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine
CID 62951525
2-cyclobutyl-2-(dimethylamino)ethanol
CID 116857326
3-amino-2-[cyclohexyl(ethyl)amino]propan-1-ol
CID 104710791
2-[methyl(oxan-3-yl)amino]propan-1-ol
CID 103857883
N-heptan-4-yl-N-methylpiperidin-3-amine
CID 63644400
3-amino-2-[methyl(oxan-4-yl)amino]butan-1-ol
CID 64898082

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(methyl)amino]butane-1,4-diol?
The IUPAC name of 2-[cyclobutyl(methyl)amino]butane-1,4-diol (CID 58974334) is 2-[cyclobutyl(methyl)amino]butane-1,4-diol.
What is the SMILES notation for 2-[cyclobutyl(methyl)amino]butane-1,4-diol?
The canonical SMILES for 2-[cyclobutyl(methyl)amino]butane-1,4-diol is CN(C(CO)CCO)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(methyl)amino]butane-1,4-diol?
The InChIKey is QTSMIMAVDRSIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-10(8-3-2-4-8)9(7-12)5-6-11/h8-9,11-12H,2-7H2,1H3.
What are the key properties of 2-[cyclobutyl(methyl)amino]butane-1,4-diol?
2-[cyclobutyl(methyl)amino]butane-1,4-diol has a molecular weight of 173.26 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(methyl)amino]butane-1,4-diol is sourced from PubChem (CID 58974334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).