1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine

C8H16N2 — CID 20789443

IUPAC1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine
SMILESCN1CC2C(N)CC2(C)C1
InChIInChI=1S/C8H16N2/c1-8-3-7(9)6(8)4-10(2)5-8/h6-7H,3-5,9H2,1-2H3
InChIKeyOJFCGHXOAYNEHM-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.29
Rot. Bonds

About 1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine

1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine (PubChem CID 20789443) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine
PubChem CID20789443
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine
SMILESCN1CC2C(N)CC2(C)C1
InChIInChI=1S/C8H16N2/c1-8-3-7(9)6(8)4-10(2)5-8/h6-7H,3-5,9H2,1-2H3
InChIKeyOJFCGHXOAYNEHM-UHFFFAOYSA-N
XLogP0.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine (CID 20789443) is 1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine is CN1CC2C(N)CC2(C)C1.
What is the InChIKey of 1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine?
The InChIKey is OJFCGHXOAYNEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8-3-7(9)6(8)4-10(2)5-8/h6-7H,3-5,9H2,1-2H3.
What are the key properties of 1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine?
1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine has a molecular weight of 140.23 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 20789443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).