2,7,7-trimethyl-4-methylidene-6-azabicyclo[3.1.1]hept-2-ene

C10H15N — CID 129157010

IUPAC2,7,7-trimethyl-4-methylidene-6-azabicyclo[3.1.1]hept-2-ene
SMILESC=C1C=C(C)C2NC1C2(C)C
InChIInChI=1S/C10H15N/c1-6-5-7(2)9-10(3,4)8(6)11-9/h5,8-9,11H,1H2,2-4H3
InChIKeyNHYLMNMVVXHSFK-UHFFFAOYSA-N
MW149.24 g/mol
LogP1.87
Rot. Bonds

About 2,7,7-trimethyl-4-methylidene-6-azabicyclo[3.1.1]hept-2-ene

2,7,7-trimethyl-4-methylidene-6-azabicyclo[3.1.1]hept-2-ene (PubChem CID 129157010) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2,7,7-trimethyl-4-methylidene-6-azabicyclo[3.1.1]hept-2-ene.

Molecular Properties

Compound Name2,7,7-trimethyl-4-methylidene-6-azabicyclo[3.1.1]hept-2-ene
PubChem CID129157010
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2,7,7-trimethyl-4-methylidene-6-azabicyclo[3.1.1]hept-2-ene
SMILESC=C1C=C(C)C2NC1C2(C)C
InChIInChI=1S/C10H15N/c1-6-5-7(2)9-10(3,4)8(6)11-9/h5,8-9,11H,1H2,2-4H3
InChIKeyNHYLMNMVVXHSFK-UHFFFAOYSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7,7-trimethyl-4-methylidene-6-azabicyclo[3.1.1]hept-2-ene?
The IUPAC name of 2,7,7-trimethyl-4-methylidene-6-azabicyclo[3.1.1]hept-2-ene (CID 129157010) is 2,7,7-trimethyl-4-methylidene-6-azabicyclo[3.1.1]hept-2-ene.
What is the SMILES notation for 2,7,7-trimethyl-4-methylidene-6-azabicyclo[3.1.1]hept-2-ene?
The canonical SMILES for 2,7,7-trimethyl-4-methylidene-6-azabicyclo[3.1.1]hept-2-ene is C=C1C=C(C)C2NC1C2(C)C.
What is the InChIKey of 2,7,7-trimethyl-4-methylidene-6-azabicyclo[3.1.1]hept-2-ene?
The InChIKey is NHYLMNMVVXHSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-6-5-7(2)9-10(3,4)8(6)11-9/h5,8-9,11H,1H2,2-4H3.
What are the key properties of 2,7,7-trimethyl-4-methylidene-6-azabicyclo[3.1.1]hept-2-ene?
2,7,7-trimethyl-4-methylidene-6-azabicyclo[3.1.1]hept-2-ene has a molecular weight of 149.24 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,7-trimethyl-4-methylidene-6-azabicyclo[3.1.1]hept-2-ene is sourced from PubChem (CID 129157010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).