N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine

C13H25NO — CID 115893382

IUPACN-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine
SMILESCC(NCCC1CCC1)C1CCOCC1
InChIInChI=1S/C13H25NO/c1-11(13-6-9-15-10-7-13)14-8-5-12-3-2-4-12/h11-14H,2-10H2,1H3
InChIKeyVRSYBGHEFLXQDB-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds5

About N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine

N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine (PubChem CID 115893382) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine
PubChem CID115893382
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine
SMILESCC(NCCC1CCC1)C1CCOCC1
InChIInChI=1S/C13H25NO/c1-11(13-6-9-15-10-7-13)14-8-5-12-3-2-4-12/h11-14H,2-10H2,1H3
InChIKeyVRSYBGHEFLXQDB-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclohexylethyl)-1-(oxan-4-yl)ethanamine
CID 113260043
N-(1-cyclopentylethyl)-4-(oxan-4-yl)butan-1-amine
CID 114191053
N-[(3-methylcyclohexyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103778785
4-[1-(oxan-4-yl)ethylamino]butan-2-ol
CID 115720280
N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine
CID 115706242
1-(oxan-4-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 103271280
3-cyclohexyl-N-(1-cyclopropylethyl)propan-1-amine
CID 115676362
N-(2-cyclobutylethyl)propan-2-amine;molecular hydrogen
CID 171515150
4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol
CID 115723515
2,2-dimethyl-4-[1-(oxan-4-yl)ethylamino]butanenitrile
CID 103925508
N-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine
CID 103902201
N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 103914800

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine (CID 115893382) is N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine is CC(NCCC1CCC1)C1CCOCC1.
What is the InChIKey of N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine?
The InChIKey is VRSYBGHEFLXQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(13-6-9-15-10-7-13)14-8-5-12-3-2-4-12/h11-14H,2-10H2,1H3.
What are the key properties of N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine?
N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115893382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).