3-methyl-N-[2-(oxolan-3-yl)ethyl]butan-2-amine

C11H23NO — CID 104537978

IUPAC3-methyl-N-[2-(oxolan-3-yl)ethyl]butan-2-amine
SMILESCC(C)C(C)NCCC1CCOC1
InChIInChI=1S/C11H23NO/c1-9(2)10(3)12-6-4-11-5-7-13-8-11/h9-12H,4-8H2,1-3H3
InChIKeyBRDZMSQHQVTYKS-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds5

About 3-methyl-N-[2-(oxolan-3-yl)ethyl]butan-2-amine

3-methyl-N-[2-(oxolan-3-yl)ethyl]butan-2-amine (PubChem CID 104537978) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-methyl-N-[2-(oxolan-3-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(oxolan-3-yl)ethyl]butan-2-amine
PubChem CID104537978
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-methyl-N-[2-(oxolan-3-yl)ethyl]butan-2-amine
SMILESCC(C)C(C)NCCC1CCOC1
InChIInChI=1S/C11H23NO/c1-9(2)10(3)12-6-4-11-5-7-13-8-11/h9-12H,4-8H2,1-3H3
InChIKeyBRDZMSQHQVTYKS-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(oxolan-3-yl)-N-propan-2-ylpropan-1-amine
CID 64503037
N-(2-cyclopentylethyl)-3-methylbutan-2-amine
CID 60920356
2-methyl-N-[2-(oxolan-3-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 104537883
N-(3-methylbutyl)-2-[2-(oxolan-3-yl)ethylamino]propanamide
CID 113411967
1-(3,4-dimethylphenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 113424522
1-(2,6-difluorophenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 113411965
1-(5-fluoro-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 113424527
1-(1-methylbenzimidazol-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 104538077
1-(1,3-benzodioxol-5-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 103878969
N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560137
3-methyl-N-[2-(oxolan-3-yl)ethyl]-2-phenylbutan-1-amine
CID 102671497
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 104538043

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(oxolan-3-yl)ethyl]butan-2-amine?
The IUPAC name of 3-methyl-N-[2-(oxolan-3-yl)ethyl]butan-2-amine (CID 104537978) is 3-methyl-N-[2-(oxolan-3-yl)ethyl]butan-2-amine.
What is the SMILES notation for 3-methyl-N-[2-(oxolan-3-yl)ethyl]butan-2-amine?
The canonical SMILES for 3-methyl-N-[2-(oxolan-3-yl)ethyl]butan-2-amine is CC(C)C(C)NCCC1CCOC1.
What is the InChIKey of 3-methyl-N-[2-(oxolan-3-yl)ethyl]butan-2-amine?
The InChIKey is BRDZMSQHQVTYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)10(3)12-6-4-11-5-7-13-8-11/h9-12H,4-8H2,1-3H3.
What are the key properties of 3-methyl-N-[2-(oxolan-3-yl)ethyl]butan-2-amine?
3-methyl-N-[2-(oxolan-3-yl)ethyl]butan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(oxolan-3-yl)ethyl]butan-2-amine is sourced from PubChem (CID 104537978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).