N-[(2E)-3,7-dimethylocta-2,6-dienyl]-7,7-dimethyl-N-pentylbicyclo[2.2.1]heptan-2-amine

C24H43N — CID 166770390

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-7,7-dimethyl-N-pentylbicyclo[2.2.1]heptan-2-amine
SMILESCCCCCN(C/C=C(\C)CCC=C(C)C)C1CC2CCC1C2(C)C
InChIInChI=1S/C24H43N/c1-7-8-9-16-25(17-15-20(4)12-10-11-19(2)3)23-18-21-13-14-22(23)24(21,5)6/h11,15,21-23H,7-10,12-14,16-18H2,1-6H3/b20-15+
InChIKeyQGORJDNYILWYCH-HMMYKYKNSA-N
MW345.62 g/mol
LogP7.00
Rot. Bonds10

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]-7,7-dimethyl-N-pentylbicyclo[2.2.1]heptan-2-amine

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-7,7-dimethyl-N-pentylbicyclo[2.2.1]heptan-2-amine (PubChem CID 166770390) has the molecular formula C24H43N and a molecular weight of 345.62 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-7,7-dimethyl-N-pentylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-7,7-dimethyl-N-pentylbicyclo[2.2.1]heptan-2-amine
PubChem CID166770390
Molecular FormulaC24H43N
Molecular Weight345.62 g/mol
Exact Mass345.34
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-7,7-dimethyl-N-pentylbicyclo[2.2.1]heptan-2-amine
SMILESCCCCCN(C/C=C(\C)CCC=C(C)C)C1CC2CCC1C2(C)C
InChIInChI=1S/C24H43N/c1-7-8-9-16-25(17-15-20(4)12-10-11-19(2)3)23-18-21-13-14-22(23)24(21,5)6/h11,15,21-23H,7-10,12-14,16-18H2,1-6H3/b20-15+
InChIKeyQGORJDNYILWYCH-HMMYKYKNSA-N
XLogP7.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.62
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-7,7-dimethyl-N-pentylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-7,7-dimethyl-N-pentylbicyclo[2.2.1]heptan-2-amine (CID 166770390) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-7,7-dimethyl-N-pentylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-7,7-dimethyl-N-pentylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-7,7-dimethyl-N-pentylbicyclo[2.2.1]heptan-2-amine is CCCCCN(C/C=C(\C)CCC=C(C)C)C1CC2CCC1C2(C)C.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-7,7-dimethyl-N-pentylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is QGORJDNYILWYCH-HMMYKYKNSA-N. The full InChI is InChI=1S/C24H43N/c1-7-8-9-16-25(17-15-20(4)12-10-11-19(2)3)23-18-21-13-14-22(23)24(21,5)6/h11,15,21-23H,7-10,12-14,16-18H2,1-6H3/b20-15+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-7,7-dimethyl-N-pentylbicyclo[2.2.1]heptan-2-amine?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-7,7-dimethyl-N-pentylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 345.62 g/mol, XLogP of 7.00, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-7,7-dimethyl-N-pentylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 166770390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).