2,6,6-trimethylbicyclo[3.1.1]hept-2-en-1-amine

C10H17N — CID 90960121

IUPAC2,6,6-trimethylbicyclo[3.1.1]hept-2-en-1-amine
SMILESCC1=CCC2CC1(N)C2(C)C
InChIInChI=1S/C10H17N/c1-7-4-5-8-6-10(7,11)9(8,2)3/h4,8H,5-6,11H2,1-3H3
InChIKeyQDVKHPXVDRFFSD-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.08
Rot. Bonds

About 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-1-amine

2,6,6-trimethylbicyclo[3.1.1]hept-2-en-1-amine (PubChem CID 90960121) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-1-amine.

Molecular Properties

Compound Name2,6,6-trimethylbicyclo[3.1.1]hept-2-en-1-amine
PubChem CID90960121
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2,6,6-trimethylbicyclo[3.1.1]hept-2-en-1-amine
SMILESCC1=CCC2CC1(N)C2(C)C
InChIInChI=1S/C10H17N/c1-7-4-5-8-6-10(7,11)9(8,2)3/h4,8H,5-6,11H2,1-3H3
InChIKeyQDVKHPXVDRFFSD-UHFFFAOYSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-1-amine?
The IUPAC name of 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-1-amine (CID 90960121) is 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-1-amine.
What is the SMILES notation for 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-1-amine?
The canonical SMILES for 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-1-amine is CC1=CCC2CC1(N)C2(C)C.
What is the InChIKey of 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-1-amine?
The InChIKey is QDVKHPXVDRFFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-7-4-5-8-6-10(7,11)9(8,2)3/h4,8H,5-6,11H2,1-3H3.
What are the key properties of 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-1-amine?
2,6,6-trimethylbicyclo[3.1.1]hept-2-en-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-1-amine is sourced from PubChem (CID 90960121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).