N-[(1-cyclopropylcyclobutyl)methyl]oxan-4-amine

C13H23NO — CID 115757308

IUPACN-[(1-cyclopropylcyclobutyl)methyl]oxan-4-amine
SMILESC1CC(CNC2CCOCC2)(C2CC2)C1
InChIInChI=1S/C13H23NO/c1-6-13(7-1,11-2-3-11)10-14-12-4-8-15-9-5-12/h11-12,14H,1-10H2
InChIKeyBXKMRDMEPFIBEU-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.34
Rot. Bonds4

About N-[(1-cyclopropylcyclobutyl)methyl]oxan-4-amine

N-[(1-cyclopropylcyclobutyl)methyl]oxan-4-amine (PubChem CID 115757308) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclobutyl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclobutyl)methyl]oxan-4-amine
PubChem CID115757308
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[(1-cyclopropylcyclobutyl)methyl]oxan-4-amine
SMILESC1CC(CNC2CCOCC2)(C2CC2)C1
InChIInChI=1S/C13H23NO/c1-6-13(7-1,11-2-3-11)10-14-12-4-8-15-9-5-12/h11-12,14H,1-10H2
InChIKeyBXKMRDMEPFIBEU-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclopropyl-7-oxa-2-azaspiro(3.5)nonane
CID 119056895
2-cyclopropyl-N-spiro[3.3]heptan-2-yloxan-4-amine
CID 128701906
N-(2-propylpentyl)oxan-4-amine
CID 123828027
2,2-dimethyl-N-(oxan-4-ylmethyl)-3-pentylcyclopropan-1-amine
CID 126595479
2-cyclopropyl-N-ethyl-2-(methoxymethyl)pentan-1-amine
CID 139968807
N-propyl-6-oxaspiro[3.5]nonan-9-amine
CID 156812980
N-ethyl-6-oxaspiro[3.5]nonan-9-amine
CID 166684997
N-(4-cyclopropylcyclohexyl)oxan-4-amine
CID 169234739
3-ethyl-N-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-amine
CID 170738061
N-(2-ethylhexyl)oxan-4-amine
CID 43608491
N-(5-methylheptan-3-yl)oxan-4-amine
CID 43609876
N-[2-ethyl-2-(oxan-4-ylmethyl)butyl]cyclopropanamine
CID 55106750

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclobutyl)methyl]oxan-4-amine?
The IUPAC name of N-[(1-cyclopropylcyclobutyl)methyl]oxan-4-amine (CID 115757308) is N-[(1-cyclopropylcyclobutyl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(1-cyclopropylcyclobutyl)methyl]oxan-4-amine?
The canonical SMILES for N-[(1-cyclopropylcyclobutyl)methyl]oxan-4-amine is C1CC(CNC2CCOCC2)(C2CC2)C1.
What is the InChIKey of N-[(1-cyclopropylcyclobutyl)methyl]oxan-4-amine?
The InChIKey is BXKMRDMEPFIBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-6-13(7-1,11-2-3-11)10-14-12-4-8-15-9-5-12/h11-12,14H,1-10H2.
What are the key properties of N-[(1-cyclopropylcyclobutyl)methyl]oxan-4-amine?
N-[(1-cyclopropylcyclobutyl)methyl]oxan-4-amine has a molecular weight of 209.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclobutyl)methyl]oxan-4-amine is sourced from PubChem (CID 115757308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).