N-(oxan-4-ylmethyl)cyclobutanamine

C10H19NO — CID 62416115

IUPACN-(oxan-4-ylmethyl)cyclobutanamine
SMILESC1CC(NCC2CCOCC2)C1
InChIInChI=1S/C10H19NO/c1-2-10(3-1)11-8-9-4-6-12-7-5-9/h9-11H,1-8H2
InChIKeyIFYCTEKOZLLLCV-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.56
Rot. Bonds3

About N-(oxan-4-ylmethyl)cyclobutanamine

N-(oxan-4-ylmethyl)cyclobutanamine (PubChem CID 62416115) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)cyclobutanamine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)cyclobutanamine
PubChem CID62416115
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-(oxan-4-ylmethyl)cyclobutanamine
SMILESC1CC(NCC2CCOCC2)C1
InChIInChI=1S/C10H19NO/c1-2-10(3-1)11-8-9-4-6-12-7-5-9/h9-11H,1-8H2
InChIKeyIFYCTEKOZLLLCV-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl(1-(oxan-4-yl)ethyl)amine
CID 57526871
N-(oxan-4-ylmethyl)cyclopropanamine
CID 61269370
N-[(oxan-4-yl)methyl]cyclobutanamine hydrochloride
CID 137919902
Tert-butyl[(oxan-4-yl)methyl]amine hydrochloride
CID 165942072
2-Methyl-N-((tetrahydro-2H-pyran-4-yl)methyl)propan-2-amine
CID 59743283
N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
CID 66204343
N-[(4-fluorooxan-4-yl)methyl]-2-methylpropan-1-amine
CID 146329042
(1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
CID 146615373
N-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146615375
N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146615508
N-[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146626775
N-[(4-fluorooxan-4-yl)methyl]propan-2-amine
CID 149234668

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)cyclobutanamine?
The IUPAC name of N-(oxan-4-ylmethyl)cyclobutanamine (CID 62416115) is N-(oxan-4-ylmethyl)cyclobutanamine.
What is the SMILES notation for N-(oxan-4-ylmethyl)cyclobutanamine?
The canonical SMILES for N-(oxan-4-ylmethyl)cyclobutanamine is C1CC(NCC2CCOCC2)C1.
What is the InChIKey of N-(oxan-4-ylmethyl)cyclobutanamine?
The InChIKey is IFYCTEKOZLLLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-10(3-1)11-8-9-4-6-12-7-5-9/h9-11H,1-8H2.
What are the key properties of N-(oxan-4-ylmethyl)cyclobutanamine?
N-(oxan-4-ylmethyl)cyclobutanamine has a molecular weight of 169.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)cyclobutanamine is sourced from PubChem (CID 62416115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).