1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine

C8H14N2 — CID 18687129

IUPAC1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
SMILESCC1CC(N)=NC2(C)CC12
InChIInChI=1S/C8H14N2/c1-5-3-7(9)10-8(2)4-6(5)8/h5-6H,3-4H2,1-2H3,(H2,9,10)
InChIKeyWIRLWOFJWBOVGL-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.16
Rot. Bonds

About 1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine

1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine (PubChem CID 18687129) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
PubChem CID18687129
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
SMILESCC1CC(N)=NC2(C)CC12
InChIInChI=1S/C8H14N2/c1-5-3-7(9)10-8(2)4-6(5)8/h5-6H,3-4H2,1-2H3,(H2,9,10)
InChIKeyWIRLWOFJWBOVGL-UHFFFAOYSA-N
XLogP1.16
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine?
The IUPAC name of 1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine (CID 18687129) is 1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine.
What is the SMILES notation for 1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine?
The canonical SMILES for 1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine is CC1CC(N)=NC2(C)CC12.
What is the InChIKey of 1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine?
The InChIKey is WIRLWOFJWBOVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-3-7(9)10-8(2)4-6(5)8/h5-6H,3-4H2,1-2H3,(H2,9,10).
What are the key properties of 1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine?
1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine has a molecular weight of 138.21 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine is sourced from PubChem (CID 18687129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).