(3E,5E,7Z)-6-N-(1-cyclopropylethenyl)-3,4-dimethyl-2-N,2-N-dipropylnona-1,3,5,7-tetraene-2,6-diamine

C22H36N2 — CID 166820397

IUPAC(3E,5E,7Z)-6-N-(1-cyclopropylethenyl)-3,4-dimethyl-2-N,2-N-dipropylnona-1,3,5,7-tetraene-2,6-diamine
SMILESC=C(NC(/C=C\C)=C/C(C)=C(\C)C(=C)N(CCC)CCC)C1CC1
InChIInChI=1S/C22H36N2/c1-8-11-22(23-19(6)21-12-13-21)16-17(4)18(5)20(7)24(14-9-2)15-10-3/h8,11,16,21,23H,6-7,9-10,12-15H2,1-5H3/b11-8-,18-17+,22-16+
InChIKeyFRGYSMVKYJACMV-GTNMNNIUSA-N
MW328.54 g/mol
LogP5.93
Rot. Bonds11

About (3E,5E,7Z)-6-N-(1-cyclopropylethenyl)-3,4-dimethyl-2-N,2-N-dipropylnona-1,3,5,7-tetraene-2,6-diamine

(3E,5E,7Z)-6-N-(1-cyclopropylethenyl)-3,4-dimethyl-2-N,2-N-dipropylnona-1,3,5,7-tetraene-2,6-diamine (PubChem CID 166820397) has the molecular formula C22H36N2 and a molecular weight of 328.54 g/mol. Its IUPAC name is (3E,5E,7Z)-6-N-(1-cyclopropylethenyl)-3,4-dimethyl-2-N,2-N-dipropylnona-1,3,5,7-tetraene-2,6-diamine.

Molecular Properties

Compound Name(3E,5E,7Z)-6-N-(1-cyclopropylethenyl)-3,4-dimethyl-2-N,2-N-dipropylnona-1,3,5,7-tetraene-2,6-diamine
PubChem CID166820397
Molecular FormulaC22H36N2
Molecular Weight328.54 g/mol
Exact Mass328.29
IUPAC Name(3E,5E,7Z)-6-N-(1-cyclopropylethenyl)-3,4-dimethyl-2-N,2-N-dipropylnona-1,3,5,7-tetraene-2,6-diamine
SMILESC=C(NC(/C=C\C)=C/C(C)=C(\C)C(=C)N(CCC)CCC)C1CC1
InChIInChI=1S/C22H36N2/c1-8-11-22(23-19(6)21-12-13-21)16-17(4)18(5)20(7)24(14-9-2)15-10-3/h8,11,16,21,23H,6-7,9-10,12-15H2,1-5H3/b11-8-,18-17+,22-16+
InChIKeyFRGYSMVKYJACMV-GTNMNNIUSA-N
XLogP5.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,7Z)-6-N-(1-cyclopropylethenyl)-3,4-dimethyl-2-N,2-N-dipropylnona-1,3,5,7-tetraene-2,6-diamine?
The IUPAC name of (3E,5E,7Z)-6-N-(1-cyclopropylethenyl)-3,4-dimethyl-2-N,2-N-dipropylnona-1,3,5,7-tetraene-2,6-diamine (CID 166820397) is (3E,5E,7Z)-6-N-(1-cyclopropylethenyl)-3,4-dimethyl-2-N,2-N-dipropylnona-1,3,5,7-tetraene-2,6-diamine.
What is the SMILES notation for (3E,5E,7Z)-6-N-(1-cyclopropylethenyl)-3,4-dimethyl-2-N,2-N-dipropylnona-1,3,5,7-tetraene-2,6-diamine?
The canonical SMILES for (3E,5E,7Z)-6-N-(1-cyclopropylethenyl)-3,4-dimethyl-2-N,2-N-dipropylnona-1,3,5,7-tetraene-2,6-diamine is C=C(NC(/C=C\C)=C/C(C)=C(\C)C(=C)N(CCC)CCC)C1CC1.
What is the InChIKey of (3E,5E,7Z)-6-N-(1-cyclopropylethenyl)-3,4-dimethyl-2-N,2-N-dipropylnona-1,3,5,7-tetraene-2,6-diamine?
The InChIKey is FRGYSMVKYJACMV-GTNMNNIUSA-N. The full InChI is InChI=1S/C22H36N2/c1-8-11-22(23-19(6)21-12-13-21)16-17(4)18(5)20(7)24(14-9-2)15-10-3/h8,11,16,21,23H,6-7,9-10,12-15H2,1-5H3/b11-8-,18-17+,22-16+.
What are the key properties of (3E,5E,7Z)-6-N-(1-cyclopropylethenyl)-3,4-dimethyl-2-N,2-N-dipropylnona-1,3,5,7-tetraene-2,6-diamine?
(3E,5E,7Z)-6-N-(1-cyclopropylethenyl)-3,4-dimethyl-2-N,2-N-dipropylnona-1,3,5,7-tetraene-2,6-diamine has a molecular weight of 328.54 g/mol, XLogP of 5.93, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7Z)-6-N-(1-cyclopropylethenyl)-3,4-dimethyl-2-N,2-N-dipropylnona-1,3,5,7-tetraene-2,6-diamine is sourced from PubChem (CID 166820397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).