7,7-dimethyl-6-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

C17H34N2O — CID 102913394

IUPAC7,7-dimethyl-6-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC(C)C(CNCC1(N)C2CCOC2C1(C)C)C(C)C
InChIInChI=1S/C17H34N2O/c1-11(2)13(12(3)4)9-19-10-17(18)14-7-8-20-15(14)16(17,5)6/h11-15,19H,7-10,18H2,1-6H3
InChIKeyUUJUSMAKIHKDHG-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.65
Rot. Bonds6

About 7,7-dimethyl-6-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-6-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 102913394) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 7,7-dimethyl-6-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-6-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID102913394
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name7,7-dimethyl-6-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC(C)C(CNCC1(N)C2CCOC2C1(C)C)C(C)C
InChIInChI=1S/C17H34N2O/c1-11(2)13(12(3)4)9-19-10-17(18)14-7-8-20-15(14)16(17,5)6/h11-15,19H,7-10,18H2,1-6H3
InChIKeyUUJUSMAKIHKDHG-UHFFFAOYSA-N
XLogP2.65
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-6-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (CID 102913394) is 7,7-dimethyl-6-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-6-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-6-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is CC(C)C(CNCC1(N)C2CCOC2C1(C)C)C(C)C.
What is the InChIKey of 7,7-dimethyl-6-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is UUJUSMAKIHKDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-11(2)13(12(3)4)9-19-10-17(18)14-7-8-20-15(14)16(17,5)6/h11-15,19H,7-10,18H2,1-6H3.
What are the key properties of 7,7-dimethyl-6-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-6-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 282.47 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 102913394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).