(2E,4Z)-N-[1-[3-ethenyl-4-(2-methylprop-1-enyl)cyclopent-3-en-1-yl]ethenyl]-3-methylhepta-2,4,6-trien-2-amine

C21H29N — CID 155112517

IUPAC(2E,4Z)-N-[1-[3-ethenyl-4-(2-methylprop-1-enyl)cyclopent-3-en-1-yl]ethenyl]-3-methylhepta-2,4,6-trien-2-amine
SMILESC=C/C=C\C(C)=C(/C)NC(=C)C1CC(C=C)=C(C=C(C)C)C1
InChIInChI=1S/C21H29N/c1-8-10-11-16(5)17(6)22-18(7)20-13-19(9-2)21(14-20)12-15(3)4/h8-12,20,22H,1-2,7,13-14H2,3-6H3/b11-10-,17-16+
InChIKeyMHZCMKHEZKROMT-CAKSBQQSSA-N
MW295.47 g/mol
LogP5.98
Rot. Bonds7

About (2E,4Z)-N-[1-[3-ethenyl-4-(2-methylprop-1-enyl)cyclopent-3-en-1-yl]ethenyl]-3-methylhepta-2,4,6-trien-2-amine

(2E,4Z)-N-[1-[3-ethenyl-4-(2-methylprop-1-enyl)cyclopent-3-en-1-yl]ethenyl]-3-methylhepta-2,4,6-trien-2-amine (PubChem CID 155112517) has the molecular formula C21H29N and a molecular weight of 295.47 g/mol. Its IUPAC name is (2E,4Z)-N-[1-[3-ethenyl-4-(2-methylprop-1-enyl)cyclopent-3-en-1-yl]ethenyl]-3-methylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-N-[1-[3-ethenyl-4-(2-methylprop-1-enyl)cyclopent-3-en-1-yl]ethenyl]-3-methylhepta-2,4,6-trien-2-amine
PubChem CID155112517
Molecular FormulaC21H29N
Molecular Weight295.47 g/mol
Exact Mass295.23
IUPAC Name(2E,4Z)-N-[1-[3-ethenyl-4-(2-methylprop-1-enyl)cyclopent-3-en-1-yl]ethenyl]-3-methylhepta-2,4,6-trien-2-amine
SMILESC=C/C=C\C(C)=C(/C)NC(=C)C1CC(C=C)=C(C=C(C)C)C1
InChIInChI=1S/C21H29N/c1-8-10-11-16(5)17(6)22-18(7)20-13-19(9-2)21(14-20)12-15(3)4/h8-12,20,22H,1-2,7,13-14H2,3-6H3/b11-10-,17-16+
InChIKeyMHZCMKHEZKROMT-CAKSBQQSSA-N
XLogP5.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 55.98
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 (2E,4Z)-N-[1-[3-ethenyl-4-(2-methylprop-1-enyl)cyclopent-3-en-1-yl]ethenyl]-3-methylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4Z)-N-[1-[3-ethenyl-4-(2-methylprop-1-enyl)cyclopent-3-en-1-yl]ethenyl]-3-methylhepta-2,4,6-trien-2-amine (CID 155112517) is (2E,4Z)-N-[1-[3-ethenyl-4-(2-methylprop-1-enyl)cyclopent-3-en-1-yl]ethenyl]-3-methylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4Z)-N-[1-[3-ethenyl-4-(2-methylprop-1-enyl)cyclopent-3-en-1-yl]ethenyl]-3-methylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4Z)-N-[1-[3-ethenyl-4-(2-methylprop-1-enyl)cyclopent-3-en-1-yl]ethenyl]-3-methylhepta-2,4,6-trien-2-amine is C=C/C=C\C(C)=C(/C)NC(=C)C1CC(C=C)=C(C=C(C)C)C1.
What is the InChIKey of (2E,4Z)-N-[1-[3-ethenyl-4-(2-methylprop-1-enyl)cyclopent-3-en-1-yl]ethenyl]-3-methylhepta-2,4,6-trien-2-amine?
The InChIKey is MHZCMKHEZKROMT-CAKSBQQSSA-N. The full InChI is InChI=1S/C21H29N/c1-8-10-11-16(5)17(6)22-18(7)20-13-19(9-2)21(14-20)12-15(3)4/h8-12,20,22H,1-2,7,13-14H2,3-6H3/b11-10-,17-16+.
What are the key properties of (2E,4Z)-N-[1-[3-ethenyl-4-(2-methylprop-1-enyl)cyclopent-3-en-1-yl]ethenyl]-3-methylhepta-2,4,6-trien-2-amine?
(2E,4Z)-N-[1-[3-ethenyl-4-(2-methylprop-1-enyl)cyclopent-3-en-1-yl]ethenyl]-3-methylhepta-2,4,6-trien-2-amine has a molecular weight of 295.47 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-[1-[3-ethenyl-4-(2-methylprop-1-enyl)cyclopent-3-en-1-yl]ethenyl]-3-methylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 155112517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).