1-ethyl-N-[1-(oxan-4-yl)ethyl]cyclobutan-1-amine

C13H25NO — CID 115920864

IUPAC1-ethyl-N-[1-(oxan-4-yl)ethyl]cyclobutan-1-amine
SMILESCCC1(NC(C)C2CCOCC2)CCC1
InChIInChI=1S/C13H25NO/c1-3-13(7-4-8-13)14-11(2)12-5-9-15-10-6-12/h11-12,14H,3-10H2,1-2H3
InChIKeyVPDLLJPMESXTDC-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds4

About 1-ethyl-N-[1-(oxan-4-yl)ethyl]cyclobutan-1-amine

1-ethyl-N-[1-(oxan-4-yl)ethyl]cyclobutan-1-amine (PubChem CID 115920864) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-ethyl-N-[1-(oxan-4-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-ethyl-N-[1-(oxan-4-yl)ethyl]cyclobutan-1-amine
PubChem CID115920864
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-ethyl-N-[1-(oxan-4-yl)ethyl]cyclobutan-1-amine
SMILESCCC1(NC(C)C2CCOCC2)CCC1
InChIInChI=1S/C13H25NO/c1-3-13(7-4-8-13)14-11(2)12-5-9-15-10-6-12/h11-12,14H,3-10H2,1-2H3
InChIKeyVPDLLJPMESXTDC-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol
CID 115719665
[1-[[1-(oxan-4-yl)ethylamino]methyl]cyclohexyl]methanol
CID 103903221
3-methyl-N-[1-(oxan-4-yl)ethyl]pentan-3-amine
CID 115920350
N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine
CID 115893382
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 103914800
3-ethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine
CID 103785689
N-(2-cyclohexylethyl)-1-(oxan-4-yl)ethanamine
CID 113260043
1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 115893016
1-ethyl-N-(oxan-3-ylmethyl)cyclobutan-1-amine
CID 115907989
N-[1-(oxan-4-yl)ethyl]butanamide
CID 103769211
4-[1-(oxan-4-yl)ethylamino]butan-2-ol
CID 115720280

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(oxan-4-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 1-ethyl-N-[1-(oxan-4-yl)ethyl]cyclobutan-1-amine (CID 115920864) is 1-ethyl-N-[1-(oxan-4-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-ethyl-N-[1-(oxan-4-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-ethyl-N-[1-(oxan-4-yl)ethyl]cyclobutan-1-amine is CCC1(NC(C)C2CCOCC2)CCC1.
What is the InChIKey of 1-ethyl-N-[1-(oxan-4-yl)ethyl]cyclobutan-1-amine?
The InChIKey is VPDLLJPMESXTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-13(7-4-8-13)14-11(2)12-5-9-15-10-6-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-ethyl-N-[1-(oxan-4-yl)ethyl]cyclobutan-1-amine?
1-ethyl-N-[1-(oxan-4-yl)ethyl]cyclobutan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(oxan-4-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 115920864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).