1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine

C13H25NO — CID 115710920

IUPAC1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine
SMILESCC(CC1CCC1)NCC1CCCOC1
InChIInChI=1S/C13H25NO/c1-11(8-12-4-2-5-12)14-9-13-6-3-7-15-10-13/h11-14H,2-10H2,1H3
InChIKeyYBENQLWNKZRDKD-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds5

About 1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine

1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine (PubChem CID 115710920) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine
PubChem CID115710920
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine
SMILESCC(CC1CCC1)NCC1CCCOC1
InChIInChI=1S/C13H25NO/c1-11(8-12-4-2-5-12)14-9-13-6-3-7-15-10-13/h11-14H,2-10H2,1H3
InChIKeyYBENQLWNKZRDKD-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

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N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115710912
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1-morpholin-4-yl-N-(oxan-3-ylmethyl)propan-2-amine
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N'-hydroxy-3-(oxan-3-ylmethylamino)butanimidamide
CID 77031801
2-methyl-3-(oxan-3-ylmethylamino)butan-1-ol
CID 115907690
N-(oxan-3-ylmethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091408
N-tert-butyl-2-(oxan-3-ylmethylamino)propanamide
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N-(oxan-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
CID 103922834
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
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1-cyclobutyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine?
The IUPAC name of 1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine (CID 115710920) is 1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine is CC(CC1CCC1)NCC1CCCOC1.
What is the InChIKey of 1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine?
The InChIKey is YBENQLWNKZRDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(8-12-4-2-5-12)14-9-13-6-3-7-15-10-13/h11-14H,2-10H2,1H3.
What are the key properties of 1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine?
1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine 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 1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 115710920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).