(2Z,4E,6Z)-N-buta-1,3-dien-2-yl-3-[[but-3-en-2-yl(methyl)amino]-methylamino]-N-[(E)-pent-3-en-2-yl]octa-2,4,6-trien-1-amine

C23H37N3 — CID 118518962

IUPAC(2Z,4E,6Z)-N-buta-1,3-dien-2-yl-3-[[but-3-en-2-yl(methyl)amino]-methylamino]-N-[(E)-pent-3-en-2-yl]octa-2,4,6-trien-1-amine
SMILESC=CC(=C)N(C/C=C(/C=C/C=C\C)N(C)N(C)C(C)C=C)C(C)/C=C/C
InChIInChI=1S/C23H37N3/c1-10-14-15-17-23(25(9)24(8)20(5)12-3)18-19-26(21(6)13-4)22(7)16-11-2/h10-18,20,22H,3-4,6,19H2,1-2,5,7-9H3/b14-10-,16-11+,17-15+,23-18-
InChIKeyNILVMVMHEZFJHR-YSOFJJRKSA-N
MW355.57 g/mol
LogP5.32
Rot. Bonds12

About (2Z,4E,6Z)-N-buta-1,3-dien-2-yl-3-[[but-3-en-2-yl(methyl)amino]-methylamino]-N-[(E)-pent-3-en-2-yl]octa-2,4,6-trien-1-amine

(2Z,4E,6Z)-N-buta-1,3-dien-2-yl-3-[[but-3-en-2-yl(methyl)amino]-methylamino]-N-[(E)-pent-3-en-2-yl]octa-2,4,6-trien-1-amine (PubChem CID 118518962) has the molecular formula C23H37N3 and a molecular weight of 355.57 g/mol. Its IUPAC name is (2Z,4E,6Z)-N-buta-1,3-dien-2-yl-3-[[but-3-en-2-yl(methyl)amino]-methylamino]-N-[(E)-pent-3-en-2-yl]octa-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2Z,4E,6Z)-N-buta-1,3-dien-2-yl-3-[[but-3-en-2-yl(methyl)amino]-methylamino]-N-[(E)-pent-3-en-2-yl]octa-2,4,6-trien-1-amine
PubChem CID118518962
Molecular FormulaC23H37N3
Molecular Weight355.57 g/mol
Exact Mass355.30
IUPAC Name(2Z,4E,6Z)-N-buta-1,3-dien-2-yl-3-[[but-3-en-2-yl(methyl)amino]-methylamino]-N-[(E)-pent-3-en-2-yl]octa-2,4,6-trien-1-amine
SMILESC=CC(=C)N(C/C=C(/C=C/C=C\C)N(C)N(C)C(C)C=C)C(C)/C=C/C
InChIInChI=1S/C23H37N3/c1-10-14-15-17-23(25(9)24(8)20(5)12-3)18-19-26(21(6)13-4)22(7)16-11-2/h10-18,20,22H,3-4,6,19H2,1-2,5,7-9H3/b14-10-,16-11+,17-15+,23-18-
InChIKeyNILVMVMHEZFJHR-YSOFJJRKSA-N
XLogP5.32
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6Z)-N-buta-1,3-dien-2-yl-3-[[but-3-en-2-yl(methyl)amino]-methylamino]-N-[(E)-pent-3-en-2-yl]octa-2,4,6-trien-1-amine?
The IUPAC name of (2Z,4E,6Z)-N-buta-1,3-dien-2-yl-3-[[but-3-en-2-yl(methyl)amino]-methylamino]-N-[(E)-pent-3-en-2-yl]octa-2,4,6-trien-1-amine (CID 118518962) is (2Z,4E,6Z)-N-buta-1,3-dien-2-yl-3-[[but-3-en-2-yl(methyl)amino]-methylamino]-N-[(E)-pent-3-en-2-yl]octa-2,4,6-trien-1-amine.
What is the SMILES notation for (2Z,4E,6Z)-N-buta-1,3-dien-2-yl-3-[[but-3-en-2-yl(methyl)amino]-methylamino]-N-[(E)-pent-3-en-2-yl]octa-2,4,6-trien-1-amine?
The canonical SMILES for (2Z,4E,6Z)-N-buta-1,3-dien-2-yl-3-[[but-3-en-2-yl(methyl)amino]-methylamino]-N-[(E)-pent-3-en-2-yl]octa-2,4,6-trien-1-amine is C=CC(=C)N(C/C=C(/C=C/C=C\C)N(C)N(C)C(C)C=C)C(C)/C=C/C.
What is the InChIKey of (2Z,4E,6Z)-N-buta-1,3-dien-2-yl-3-[[but-3-en-2-yl(methyl)amino]-methylamino]-N-[(E)-pent-3-en-2-yl]octa-2,4,6-trien-1-amine?
The InChIKey is NILVMVMHEZFJHR-YSOFJJRKSA-N. The full InChI is InChI=1S/C23H37N3/c1-10-14-15-17-23(25(9)24(8)20(5)12-3)18-19-26(21(6)13-4)22(7)16-11-2/h10-18,20,22H,3-4,6,19H2,1-2,5,7-9H3/b14-10-,16-11+,17-15+,23-18-.
What are the key properties of (2Z,4E,6Z)-N-buta-1,3-dien-2-yl-3-[[but-3-en-2-yl(methyl)amino]-methylamino]-N-[(E)-pent-3-en-2-yl]octa-2,4,6-trien-1-amine?
(2Z,4E,6Z)-N-buta-1,3-dien-2-yl-3-[[but-3-en-2-yl(methyl)amino]-methylamino]-N-[(E)-pent-3-en-2-yl]octa-2,4,6-trien-1-amine has a molecular weight of 355.57 g/mol, XLogP of 5.32, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6Z)-N-buta-1,3-dien-2-yl-3-[[but-3-en-2-yl(methyl)amino]-methylamino]-N-[(E)-pent-3-en-2-yl]octa-2,4,6-trien-1-amine is sourced from PubChem (CID 118518962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).