4,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-amine

C10H17N — CID 22136350

IUPAC4,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-amine
SMILESCC1C(N)=CC2CC1C2(C)C
InChIInChI=1S/C10H17N/c1-6-8-4-7(5-9(6)11)10(8,2)3/h5-8H,4,11H2,1-3H3
InChIKeyZTDSEPVWFSBLGV-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.14
Rot. Bonds

About 4,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-amine

4,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-amine (PubChem CID 22136350) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-amine.

Molecular Properties

Compound Name4,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-amine
PubChem CID22136350
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-amine
SMILESCC1C(N)=CC2CC1C2(C)C
InChIInChI=1S/C10H17N/c1-6-8-4-7(5-9(6)11)10(8,2)3/h5-8H,4,11H2,1-3H3
InChIKeyZTDSEPVWFSBLGV-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-amine?
The IUPAC name of 4,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-amine (CID 22136350) is 4,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-amine.
What is the SMILES notation for 4,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-amine?
The canonical SMILES for 4,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-amine is CC1C(N)=CC2CC1C2(C)C.
What is the InChIKey of 4,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-amine?
The InChIKey is ZTDSEPVWFSBLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-6-8-4-7(5-9(6)11)10(8,2)3/h5-8H,4,11H2,1-3H3.
What are the key properties of 4,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-amine?
4,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-amine has a molecular weight of 151.25 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-amine is sourced from PubChem (CID 22136350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).