(7E,8Z)-4,5-dimethyl-7-(2-methylprop-2-enylidene)-3-propylundeca-8,10-dien-1-amine

C20H35N — CID 89073266

IUPAC(7E,8Z)-4,5-dimethyl-7-(2-methylprop-2-enylidene)-3-propylundeca-8,10-dien-1-amine
SMILESC=C/C=C\C(=C\C(=C)C)CC(C)C(C)C(CCC)CCN
InChIInChI=1S/C20H35N/c1-7-9-11-19(14-16(3)4)15-17(5)18(6)20(10-8-2)12-13-21/h7,9,11,14,17-18,20H,1,3,8,10,12-13,15,21H2,2,4-6H3/b11-9-,19-14-
InChIKeyQOLUMZYYCKPMEL-FVDMYRIMSA-N
MW289.51 g/mol
LogP5.66
Rot. Bonds11

About (7E,8Z)-4,5-dimethyl-7-(2-methylprop-2-enylidene)-3-propylundeca-8,10-dien-1-amine

(7E,8Z)-4,5-dimethyl-7-(2-methylprop-2-enylidene)-3-propylundeca-8,10-dien-1-amine (PubChem CID 89073266) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is (7E,8Z)-4,5-dimethyl-7-(2-methylprop-2-enylidene)-3-propylundeca-8,10-dien-1-amine.

Molecular Properties

Compound Name(7E,8Z)-4,5-dimethyl-7-(2-methylprop-2-enylidene)-3-propylundeca-8,10-dien-1-amine
PubChem CID89073266
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name(7E,8Z)-4,5-dimethyl-7-(2-methylprop-2-enylidene)-3-propylundeca-8,10-dien-1-amine
SMILESC=C/C=C\C(=C\C(=C)C)CC(C)C(C)C(CCC)CCN
InChIInChI=1S/C20H35N/c1-7-9-11-19(14-16(3)4)15-17(5)18(6)20(10-8-2)12-13-21/h7,9,11,14,17-18,20H,1,3,8,10,12-13,15,21H2,2,4-6H3/b11-9-,19-14-
InChIKeyQOLUMZYYCKPMEL-FVDMYRIMSA-N
XLogP5.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7E,8Z)-4,5-dimethyl-7-(2-methylprop-2-enylidene)-3-propylundeca-8,10-dien-1-amine?
The IUPAC name of (7E,8Z)-4,5-dimethyl-7-(2-methylprop-2-enylidene)-3-propylundeca-8,10-dien-1-amine (CID 89073266) is (7E,8Z)-4,5-dimethyl-7-(2-methylprop-2-enylidene)-3-propylundeca-8,10-dien-1-amine.
What is the SMILES notation for (7E,8Z)-4,5-dimethyl-7-(2-methylprop-2-enylidene)-3-propylundeca-8,10-dien-1-amine?
The canonical SMILES for (7E,8Z)-4,5-dimethyl-7-(2-methylprop-2-enylidene)-3-propylundeca-8,10-dien-1-amine is C=C/C=C\C(=C\C(=C)C)CC(C)C(C)C(CCC)CCN.
What is the InChIKey of (7E,8Z)-4,5-dimethyl-7-(2-methylprop-2-enylidene)-3-propylundeca-8,10-dien-1-amine?
The InChIKey is QOLUMZYYCKPMEL-FVDMYRIMSA-N. The full InChI is InChI=1S/C20H35N/c1-7-9-11-19(14-16(3)4)15-17(5)18(6)20(10-8-2)12-13-21/h7,9,11,14,17-18,20H,1,3,8,10,12-13,15,21H2,2,4-6H3/b11-9-,19-14-.
What are the key properties of (7E,8Z)-4,5-dimethyl-7-(2-methylprop-2-enylidene)-3-propylundeca-8,10-dien-1-amine?
(7E,8Z)-4,5-dimethyl-7-(2-methylprop-2-enylidene)-3-propylundeca-8,10-dien-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.66, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,8Z)-4,5-dimethyl-7-(2-methylprop-2-enylidene)-3-propylundeca-8,10-dien-1-amine is sourced from PubChem (CID 89073266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).