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

C18H33N — CID 134881537

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylcyclohexanamine
SMILESCCN(C/C=C(\C)CCC=C(C)C)C1CCCCC1
InChIInChI=1S/C18H33N/c1-5-19(18-12-7-6-8-13-18)15-14-17(4)11-9-10-16(2)3/h10,14,18H,5-9,11-13,15H2,1-4H3/b17-14+
InChIKeyKXAHBQSDYNUBMY-SAPNQHFASA-N
MW263.47 g/mol
LogP5.33
Rot. Bonds7

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

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylcyclohexanamine (PubChem CID 134881537) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylcyclohexanamine.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylcyclohexanamine
PubChem CID134881537
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylcyclohexanamine
SMILESCCN(C/C=C(\C)CCC=C(C)C)C1CCCCC1
InChIInChI=1S/C18H33N/c1-5-19(18-12-7-6-8-13-18)15-14-17(4)11-9-10-16(2)3/h10,14,18H,5-9,11-13,15H2,1-4H3/b17-14+
InChIKeyKXAHBQSDYNUBMY-SAPNQHFASA-N
XLogP5.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.33
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-ethylcyclohexanamine?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylcyclohexanamine (CID 134881537) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylcyclohexanamine.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylcyclohexanamine?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylcyclohexanamine is CCN(C/C=C(\C)CCC=C(C)C)C1CCCCC1.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylcyclohexanamine?
The InChIKey is KXAHBQSDYNUBMY-SAPNQHFASA-N. The full InChI is InChI=1S/C18H33N/c1-5-19(18-12-7-6-8-13-18)15-14-17(4)11-9-10-16(2)3/h10,14,18H,5-9,11-13,15H2,1-4H3/b17-14+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylcyclohexanamine?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylcyclohexanamine has a molecular weight of 263.47 g/mol, XLogP of 5.33, 7 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-ethylcyclohexanamine is sourced from PubChem (CID 134881537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).