N,3,6-trimethylbicyclo[3.2.0]hept-3-en-6-amine

C10H17N — CID 126727606

IUPACN,3,6-trimethylbicyclo[3.2.0]hept-3-en-6-amine
SMILESCNC1(C)CC2CC(C)=CC21
InChIInChI=1S/C10H17N/c1-7-4-8-6-10(2,11-3)9(8)5-7/h5,8-9,11H,4,6H2,1-3H3
InChIKeyOPJFQCFBPAFOPG-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.95
Rot. Bonds1

About N,3,6-trimethylbicyclo[3.2.0]hept-3-en-6-amine

N,3,6-trimethylbicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 126727606) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N,3,6-trimethylbicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN,3,6-trimethylbicyclo[3.2.0]hept-3-en-6-amine
PubChem CID126727606
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN,3,6-trimethylbicyclo[3.2.0]hept-3-en-6-amine
SMILESCNC1(C)CC2CC(C)=CC21
InChIInChI=1S/C10H17N/c1-7-4-8-6-10(2,11-3)9(8)5-7/h5,8-9,11H,4,6H2,1-3H3
InChIKeyOPJFQCFBPAFOPG-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.95
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 N,3,6-trimethylbicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N,3,6-trimethylbicyclo[3.2.0]hept-3-en-6-amine (CID 126727606) is N,3,6-trimethylbicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N,3,6-trimethylbicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N,3,6-trimethylbicyclo[3.2.0]hept-3-en-6-amine is CNC1(C)CC2CC(C)=CC21.
What is the InChIKey of N,3,6-trimethylbicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is OPJFQCFBPAFOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-7-4-8-6-10(2,11-3)9(8)5-7/h5,8-9,11H,4,6H2,1-3H3.
What are the key properties of N,3,6-trimethylbicyclo[3.2.0]hept-3-en-6-amine?
N,3,6-trimethylbicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 151.25 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,6-trimethylbicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 126727606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).