(2E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-2,7-dimethylocta-2,7-dien-1-amine

C20H35N — CID 21160026

IUPAC(2E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-2,7-dimethylocta-2,7-dien-1-amine
SMILESC=C(C)CCC/C=C(\C)CNC(CCCC(=C)C)C(=C)C
InChIInChI=1S/C20H35N/c1-16(2)11-8-9-13-19(7)15-21-20(18(5)6)14-10-12-17(3)4/h13,20-21H,1,3,5,8-12,14-15H2,2,4,6-7H3/b19-13+
InChIKeyLHPVEJBEINISBQ-CPNJWEJPSA-N
MW289.51 g/mol
LogP5.96
Rot. Bonds12

About (2E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-2,7-dimethylocta-2,7-dien-1-amine

(2E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-2,7-dimethylocta-2,7-dien-1-amine (PubChem CID 21160026) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is (2E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-2,7-dimethylocta-2,7-dien-1-amine.

Molecular Properties

Compound Name(2E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-2,7-dimethylocta-2,7-dien-1-amine
PubChem CID21160026
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name(2E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-2,7-dimethylocta-2,7-dien-1-amine
SMILESC=C(C)CCC/C=C(\C)CNC(CCCC(=C)C)C(=C)C
InChIInChI=1S/C20H35N/c1-16(2)11-8-9-13-19(7)15-21-20(18(5)6)14-10-12-17(3)4/h13,20-21H,1,3,5,8-12,14-15H2,2,4,6-7H3/b19-13+
InChIKeyLHPVEJBEINISBQ-CPNJWEJPSA-N
XLogP5.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.96
H-Bond Donors ≤ 51
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 (2E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-2,7-dimethylocta-2,7-dien-1-amine?
The IUPAC name of (2E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-2,7-dimethylocta-2,7-dien-1-amine (CID 21160026) is (2E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-2,7-dimethylocta-2,7-dien-1-amine.
What is the SMILES notation for (2E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-2,7-dimethylocta-2,7-dien-1-amine?
The canonical SMILES for (2E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-2,7-dimethylocta-2,7-dien-1-amine is C=C(C)CCC/C=C(\C)CNC(CCCC(=C)C)C(=C)C.
What is the InChIKey of (2E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-2,7-dimethylocta-2,7-dien-1-amine?
The InChIKey is LHPVEJBEINISBQ-CPNJWEJPSA-N. The full InChI is InChI=1S/C20H35N/c1-16(2)11-8-9-13-19(7)15-21-20(18(5)6)14-10-12-17(3)4/h13,20-21H,1,3,5,8-12,14-15H2,2,4,6-7H3/b19-13+.
What are the key properties of (2E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-2,7-dimethylocta-2,7-dien-1-amine?
(2E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-2,7-dimethylocta-2,7-dien-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.96, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-2,7-dimethylocta-2,7-dien-1-amine is sourced from PubChem (CID 21160026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).