(3E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-8-methylnona-3,8-dien-2-amine

C20H35N — CID 5366167

IUPAC(3E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-8-methylnona-3,8-dien-2-amine
SMILESC=C(C)CCC/C=C/C(C)NC(CCCC(=C)C)C(=C)C
InChIInChI=1S/C20H35N/c1-16(2)12-9-8-10-14-19(7)21-20(18(5)6)15-11-13-17(3)4/h10,14,19-21H,1,3,5,8-9,11-13,15H2,2,4,6-7H3/b14-10+
InChIKeySYGIYKKQXRHJEN-GXDHUFHOSA-N
MW289.51 g/mol
LogP5.96
Rot. Bonds12

About (3E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-8-methylnona-3,8-dien-2-amine

(3E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-8-methylnona-3,8-dien-2-amine (PubChem CID 5366167) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is (3E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-8-methylnona-3,8-dien-2-amine.

Molecular Properties

Compound Name(3E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-8-methylnona-3,8-dien-2-amine
PubChem CID5366167
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name(3E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-8-methylnona-3,8-dien-2-amine
SMILESC=C(C)CCC/C=C/C(C)NC(CCCC(=C)C)C(=C)C
InChIInChI=1S/C20H35N/c1-16(2)12-9-8-10-14-19(7)21-20(18(5)6)15-11-13-17(3)4/h10,14,19-21H,1,3,5,8-9,11-13,15H2,2,4,6-7H3/b14-10+
InChIKeySYGIYKKQXRHJEN-GXDHUFHOSA-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 (3E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-8-methylnona-3,8-dien-2-amine?
The IUPAC name of (3E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-8-methylnona-3,8-dien-2-amine (CID 5366167) is (3E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-8-methylnona-3,8-dien-2-amine.
What is the SMILES notation for (3E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-8-methylnona-3,8-dien-2-amine?
The canonical SMILES for (3E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-8-methylnona-3,8-dien-2-amine is C=C(C)CCC/C=C/C(C)NC(CCCC(=C)C)C(=C)C.
What is the InChIKey of (3E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-8-methylnona-3,8-dien-2-amine?
The InChIKey is SYGIYKKQXRHJEN-GXDHUFHOSA-N. The full InChI is InChI=1S/C20H35N/c1-16(2)12-9-8-10-14-19(7)21-20(18(5)6)15-11-13-17(3)4/h10,14,19-21H,1,3,5,8-9,11-13,15H2,2,4,6-7H3/b14-10+.
What are the key properties of (3E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-8-methylnona-3,8-dien-2-amine?
(3E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-8-methylnona-3,8-dien-2-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 (3E)-N-(2,7-dimethylocta-1,7-dien-3-yl)-8-methylnona-3,8-dien-2-amine is sourced from PubChem (CID 5366167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).