3,7,8-trimethyl-N-propylbicyclo[2.2.2]oct-5-en-2-amine

C14H25N — CID 170385574

IUPAC3,7,8-trimethyl-N-propylbicyclo[2.2.2]oct-5-en-2-amine
SMILESCCCNC1C(C)C2C=CC1C(C)C2C
InChIInChI=1S/C14H25N/c1-5-8-15-14-11(4)12-6-7-13(14)10(3)9(12)2/h6-7,9-15H,5,8H2,1-4H3
InChIKeyVOYZXDRTTQLNFX-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.08
Rot. Bonds3

About 3,7,8-trimethyl-N-propylbicyclo[2.2.2]oct-5-en-2-amine

3,7,8-trimethyl-N-propylbicyclo[2.2.2]oct-5-en-2-amine (PubChem CID 170385574) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 3,7,8-trimethyl-N-propylbicyclo[2.2.2]oct-5-en-2-amine.

Molecular Properties

Compound Name3,7,8-trimethyl-N-propylbicyclo[2.2.2]oct-5-en-2-amine
PubChem CID170385574
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name3,7,8-trimethyl-N-propylbicyclo[2.2.2]oct-5-en-2-amine
SMILESCCCNC1C(C)C2C=CC1C(C)C2C
InChIInChI=1S/C14H25N/c1-5-8-15-14-11(4)12-6-7-13(14)10(3)9(12)2/h6-7,9-15H,5,8H2,1-4H3
InChIKeyVOYZXDRTTQLNFX-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.08
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 3,7,8-trimethyl-N-propylbicyclo[2.2.2]oct-5-en-2-amine?
The IUPAC name of 3,7,8-trimethyl-N-propylbicyclo[2.2.2]oct-5-en-2-amine (CID 170385574) is 3,7,8-trimethyl-N-propylbicyclo[2.2.2]oct-5-en-2-amine.
What is the SMILES notation for 3,7,8-trimethyl-N-propylbicyclo[2.2.2]oct-5-en-2-amine?
The canonical SMILES for 3,7,8-trimethyl-N-propylbicyclo[2.2.2]oct-5-en-2-amine is CCCNC1C(C)C2C=CC1C(C)C2C.
What is the InChIKey of 3,7,8-trimethyl-N-propylbicyclo[2.2.2]oct-5-en-2-amine?
The InChIKey is VOYZXDRTTQLNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-5-8-15-14-11(4)12-6-7-13(14)10(3)9(12)2/h6-7,9-15H,5,8H2,1-4H3.
What are the key properties of 3,7,8-trimethyl-N-propylbicyclo[2.2.2]oct-5-en-2-amine?
3,7,8-trimethyl-N-propylbicyclo[2.2.2]oct-5-en-2-amine has a molecular weight of 207.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,8-trimethyl-N-propylbicyclo[2.2.2]oct-5-en-2-amine is sourced from PubChem (CID 170385574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).