N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methylcyclohexanamine

C17H31N — CID 19362323

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methylcyclohexanamine
SMILESCC(C)=CCC/C(C)=C/CN(C)C1CCCCC1
InChIInChI=1S/C17H31N/c1-15(2)9-8-10-16(3)13-14-18(4)17-11-6-5-7-12-17/h9,13,17H,5-8,10-12,14H2,1-4H3/b16-13+
InChIKeyHJYDVRJPSRHYER-DTQAZKPQSA-N
MW249.44 g/mol
LogP4.94
Rot. Bonds6

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methylcyclohexanamine

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methylcyclohexanamine (PubChem CID 19362323) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methylcyclohexanamine
PubChem CID19362323
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methylcyclohexanamine
SMILESCC(C)=CCC/C(C)=C/CN(C)C1CCCCC1
InChIInChI=1S/C17H31N/c1-15(2)9-8-10-16(3)13-14-18(4)17-11-6-5-7-12-17/h9,13,17H,5-8,10-12,14H2,1-4H3/b16-13+
InChIKeyHJYDVRJPSRHYER-DTQAZKPQSA-N
XLogP4.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.94
H-Bond Donors ≤ 50
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-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methylcyclohexanamine?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methylcyclohexanamine (CID 19362323) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methylcyclohexanamine is CC(C)=CCC/C(C)=C/CN(C)C1CCCCC1.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methylcyclohexanamine?
The InChIKey is HJYDVRJPSRHYER-DTQAZKPQSA-N. The full InChI is InChI=1S/C17H31N/c1-15(2)9-8-10-16(3)13-14-18(4)17-11-6-5-7-12-17/h9,13,17H,5-8,10-12,14H2,1-4H3/b16-13+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methylcyclohexanamine?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methylcyclohexanamine has a molecular weight of 249.44 g/mol, XLogP of 4.94, 6 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]-N-methylcyclohexanamine is sourced from PubChem (CID 19362323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).