7,7-dimethyl-N-[(1-methylcyclobutyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

C14H25NO — CID 115906414

IUPAC7,7-dimethyl-N-[(1-methylcyclobutyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(CNC2C3CCOC3C2(C)C)CCC1
InChIInChI=1S/C14H25NO/c1-13(2)11(10-5-8-16-12(10)13)15-9-14(3)6-4-7-14/h10-12,15H,4-9H2,1-3H3
InChIKeyDGWLPADLKMVOTP-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.58
Rot. Bonds3

About 7,7-dimethyl-N-[(1-methylcyclobutyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-N-[(1-methylcyclobutyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 115906414) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 7,7-dimethyl-N-[(1-methylcyclobutyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-[(1-methylcyclobutyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID115906414
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name7,7-dimethyl-N-[(1-methylcyclobutyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(CNC2C3CCOC3C2(C)C)CCC1
InChIInChI=1S/C14H25NO/c1-13(2)11(10-5-8-16-12(10)13)15-9-14(3)6-4-7-14/h10-12,15H,4-9H2,1-3H3
InChIKeyDGWLPADLKMVOTP-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-[(1-methylcyclobutyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-N-[(1-methylcyclobutyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (CID 115906414) is 7,7-dimethyl-N-[(1-methylcyclobutyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-N-[(1-methylcyclobutyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-N-[(1-methylcyclobutyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(CNC2C3CCOC3C2(C)C)CCC1.
What is the InChIKey of 7,7-dimethyl-N-[(1-methylcyclobutyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is DGWLPADLKMVOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-13(2)11(10-5-8-16-12(10)13)15-9-14(3)6-4-7-14/h10-12,15H,4-9H2,1-3H3.
What are the key properties of 7,7-dimethyl-N-[(1-methylcyclobutyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-N-[(1-methylcyclobutyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 223.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-[(1-methylcyclobutyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 115906414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).