1-(oxan-4-ylmethyl)cyclobutan-1-amine

C10H19NO — CID 65196383

IUPAC1-(oxan-4-ylmethyl)cyclobutan-1-amine
SMILESNC1(CC2CCOCC2)CCC1
InChIInChI=1S/C10H19NO/c11-10(4-1-5-10)8-9-2-6-12-7-3-9/h9H,1-8,11H2
InChIKeyRCCZZLZNIUXKBI-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.68
Rot. Bonds2

About 1-(oxan-4-ylmethyl)cyclobutan-1-amine

1-(oxan-4-ylmethyl)cyclobutan-1-amine (PubChem CID 65196383) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)cyclobutan-1-amine
PubChem CID65196383
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(oxan-4-ylmethyl)cyclobutan-1-amine
SMILESNC1(CC2CCOCC2)CCC1
InChIInChI=1S/C10H19NO/c11-10(4-1-5-10)8-9-2-6-12-7-3-9/h9H,1-8,11H2
InChIKeyRCCZZLZNIUXKBI-UHFFFAOYSA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclopropylmethyl)oxan-4-amine
CID 91654794
1-(cycloheptylmethyl)cyclopropan-1-amine
CID 83682636
4-[[1-(chloromethyl)cyclobutyl]methyl]oxane
CID 66033311
1-(cyclopropylmethyl)cyclopropan-1-amine;hydrochloride
CID 131637609
2-cyclopropyl-3-(oxan-4-ylmethyl)oxolan-3-amine
CID 104510260
[2-(oxan-4-ylmethyl)thiolan-2-yl]methanamine
CID 83173845
1-(oxan-4-ylmethyl)cyclopropane-1-carbaldehyde
CID 130664231
2-(1-aminocyclobutyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide
CID 79853707
1-[(1-methylpiperidin-4-yl)methyl]cyclopentan-1-amine
CID 115074013
1-[(1-methylpiperidin-4-yl)methyl]cyclohexan-1-amine
CID 115074068
[4,4-dimethyl-1-(oxan-4-ylmethyl)cyclohexyl]methanamine
CID 65391768
1-(cyclopropylmethyl)cyclohexane-1,3-diamine
CID 66869900

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 1-(oxan-4-ylmethyl)cyclobutan-1-amine (CID 65196383) is 1-(oxan-4-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(oxan-4-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 1-(oxan-4-ylmethyl)cyclobutan-1-amine is NC1(CC2CCOCC2)CCC1.
What is the InChIKey of 1-(oxan-4-ylmethyl)cyclobutan-1-amine?
The InChIKey is RCCZZLZNIUXKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c11-10(4-1-5-10)8-9-2-6-12-7-3-9/h9H,1-8,11H2.
What are the key properties of 1-(oxan-4-ylmethyl)cyclobutan-1-amine?
1-(oxan-4-ylmethyl)cyclobutan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 65196383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).