4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pentan-2-amine

C13H25NO — CID 115720038

IUPAC4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pentan-2-amine
SMILESCC(C)CC(C)NCC1CC2CCC1O2
InChIInChI=1S/C13H25NO/c1-9(2)6-10(3)14-8-11-7-12-4-5-13(11)15-12/h9-14H,4-8H2,1-3H3
InChIKeyAOKQWJGUTFUIKX-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds5

About 4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pentan-2-amine

4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pentan-2-amine (PubChem CID 115720038) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pentan-2-amine
PubChem CID115720038
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pentan-2-amine
SMILESCC(C)CC(C)NCC1CC2CCC1O2
InChIInChI=1S/C13H25NO/c1-9(2)6-10(3)14-8-11-7-12-4-5-13(11)15-12/h9-14H,4-8H2,1-3H3
InChIKeyAOKQWJGUTFUIKX-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pentan-2-amine?
The IUPAC name of 4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pentan-2-amine (CID 115720038) is 4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pentan-2-amine.
What is the SMILES notation for 4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pentan-2-amine?
The canonical SMILES for 4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pentan-2-amine is CC(C)CC(C)NCC1CC2CCC1O2.
What is the InChIKey of 4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pentan-2-amine?
The InChIKey is AOKQWJGUTFUIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-9(2)6-10(3)14-8-11-7-12-4-5-13(11)15-12/h9-14H,4-8H2,1-3H3.
What are the key properties of 4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pentan-2-amine?
4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pentan-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pentan-2-amine is sourced from PubChem (CID 115720038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).