1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine

C10H18N2 — CID 18687125

IUPAC1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
SMILESCC1CC(N)=NC2(C)C1C2(C)C
InChIInChI=1S/C10H18N2/c1-6-5-7(11)12-10(4)8(6)9(10,2)3/h6,8H,5H2,1-4H3,(H2,11,12)
InChIKeyJCOQMIGYAMRKHJ-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.80
Rot. Bonds

About 1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine

1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine (PubChem CID 18687125) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine.

Molecular Properties

Compound Name1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
PubChem CID18687125
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
SMILESCC1CC(N)=NC2(C)C1C2(C)C
InChIInChI=1S/C10H18N2/c1-6-5-7(11)12-10(4)8(6)9(10,2)3/h6,8H,5H2,1-4H3,(H2,11,12)
InChIKeyJCOQMIGYAMRKHJ-UHFFFAOYSA-N
XLogP1.80
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine?
The IUPAC name of 1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine (CID 18687125) is 1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine.
What is the SMILES notation for 1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine?
The canonical SMILES for 1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine is CC1CC(N)=NC2(C)C1C2(C)C.
What is the InChIKey of 1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine?
The InChIKey is JCOQMIGYAMRKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-5-7(11)12-10(4)8(6)9(10,2)3/h6,8H,5H2,1-4H3,(H2,11,12).
What are the key properties of 1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine?
1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine has a molecular weight of 166.27 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine is sourced from PubChem (CID 18687125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).