3-[cyclobutylmethyl(methyl)amino]butan-2-ol

C10H21NO — CID 62861360

IUPAC3-[cyclobutylmethyl(methyl)amino]butan-2-ol
SMILESCC(O)C(C)N(C)CC1CCC1
InChIInChI=1S/C10H21NO/c1-8(9(2)12)11(3)7-10-5-4-6-10/h8-10,12H,4-7H2,1-3H3
InChIKeyZDXFFYDYAMVJGE-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds4

About 3-[cyclobutylmethyl(methyl)amino]butan-2-ol

3-[cyclobutylmethyl(methyl)amino]butan-2-ol (PubChem CID 62861360) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-[cyclobutylmethyl(methyl)amino]butan-2-ol.

Molecular Properties

Compound Name3-[cyclobutylmethyl(methyl)amino]butan-2-ol
PubChem CID62861360
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-[cyclobutylmethyl(methyl)amino]butan-2-ol
SMILESCC(O)C(C)N(C)CC1CCC1
InChIInChI=1S/C10H21NO/c1-8(9(2)12)11(3)7-10-5-4-6-10/h8-10,12H,4-7H2,1-3H3
InChIKeyZDXFFYDYAMVJGE-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 131200890
3-N-(cyclobutylmethyl)-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine
CID 79409276
N-(cyclohexylmethyl)-N-methylpropan-2-amine
CID 18711540
2-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 115772276
N-(cyclohexylmethyl)-1-iodo-N-methylethanamine
CID 154988433
1-[cyclobutylmethyl(ethyl)amino]propan-2-ol
CID 103714006
3-N-(cyclopentylmethyl)-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine
CID 79408757
1-cyclobutyl-N,N-dimethylmethanamine
CID 4285302
2-N-(cyclobutylmethyl)-1-N,2-N,3-trimethylbutane-1,2-diamine
CID 62856242
N,3-dimethyl-N-(piperidin-4-ylmethyl)butan-2-amine
CID 43570215
3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine
CID 79408443
2-N-(cyclopentylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine
CID 63631407

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutylmethyl(methyl)amino]butan-2-ol?
The IUPAC name of 3-[cyclobutylmethyl(methyl)amino]butan-2-ol (CID 62861360) is 3-[cyclobutylmethyl(methyl)amino]butan-2-ol.
What is the SMILES notation for 3-[cyclobutylmethyl(methyl)amino]butan-2-ol?
The canonical SMILES for 3-[cyclobutylmethyl(methyl)amino]butan-2-ol is CC(O)C(C)N(C)CC1CCC1.
What is the InChIKey of 3-[cyclobutylmethyl(methyl)amino]butan-2-ol?
The InChIKey is ZDXFFYDYAMVJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(9(2)12)11(3)7-10-5-4-6-10/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 3-[cyclobutylmethyl(methyl)amino]butan-2-ol?
3-[cyclobutylmethyl(methyl)amino]butan-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutylmethyl(methyl)amino]butan-2-ol is sourced from PubChem (CID 62861360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).