N-[(1-propylcyclobutyl)methyl]oxan-3-amine

C13H25NO — CID 115893826

IUPACN-[(1-propylcyclobutyl)methyl]oxan-3-amine
SMILESCCCC1(CNC2CCCOC2)CCC1
InChIInChI=1S/C13H25NO/c1-2-6-13(7-4-8-13)11-14-12-5-3-9-15-10-12/h12,14H,2-11H2,1H3
InChIKeyCJGBEWVZHCJHFU-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.73
Rot. Bonds5

About N-[(1-propylcyclobutyl)methyl]oxan-3-amine

N-[(1-propylcyclobutyl)methyl]oxan-3-amine (PubChem CID 115893826) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[(1-propylcyclobutyl)methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(1-propylcyclobutyl)methyl]oxan-3-amine
PubChem CID115893826
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[(1-propylcyclobutyl)methyl]oxan-3-amine
SMILESCCCC1(CNC2CCCOC2)CCC1
InChIInChI=1S/C13H25NO/c1-2-6-13(7-4-8-13)11-14-12-5-3-9-15-10-12/h12,14H,2-11H2,1H3
InChIKeyCJGBEWVZHCJHFU-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propylcyclobutyl)methyl]oxan-3-amine?
The IUPAC name of N-[(1-propylcyclobutyl)methyl]oxan-3-amine (CID 115893826) is N-[(1-propylcyclobutyl)methyl]oxan-3-amine.
What is the SMILES notation for N-[(1-propylcyclobutyl)methyl]oxan-3-amine?
The canonical SMILES for N-[(1-propylcyclobutyl)methyl]oxan-3-amine is CCCC1(CNC2CCCOC2)CCC1.
What is the InChIKey of N-[(1-propylcyclobutyl)methyl]oxan-3-amine?
The InChIKey is CJGBEWVZHCJHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-6-13(7-4-8-13)11-14-12-5-3-9-15-10-12/h12,14H,2-11H2,1H3.
What are the key properties of N-[(1-propylcyclobutyl)methyl]oxan-3-amine?
N-[(1-propylcyclobutyl)methyl]oxan-3-amine has a molecular weight of 211.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylcyclobutyl)methyl]oxan-3-amine is sourced from PubChem (CID 115893826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).