(2Z,4Z)-2-N-[(3Z,5Z)-3-ethenyl-5-propan-2-ylhepta-1,3,5-trien-2-yl]-3-N,6-dimethylhepta-2,4,6-triene-2,3-diamine

C21H32N2 — CID 134421910

IUPAC(2Z,4Z)-2-N-[(3Z,5Z)-3-ethenyl-5-propan-2-ylhepta-1,3,5-trien-2-yl]-3-N,6-dimethylhepta-2,4,6-triene-2,3-diamine
SMILESC=C/C(=C/C(=C\C)C(C)C)C(=C)N/C(C)=C(/C=C\C(=C)C)NC
InChIInChI=1S/C21H32N2/c1-10-19(16(5)6)14-20(11-2)17(7)23-18(8)21(22-9)13-12-15(3)4/h10-14,16,22-23H,2-3,7H2,1,4-6,8-9H3/b13-12-,19-10+,20-14-,21-18-
InChIKeyNSTMXZHYFMOOHP-VCTUIPBKSA-N
MW312.50 g/mol
LogP5.39
Rot. Bonds9

About (2Z,4Z)-2-N-[(3Z,5Z)-3-ethenyl-5-propan-2-ylhepta-1,3,5-trien-2-yl]-3-N,6-dimethylhepta-2,4,6-triene-2,3-diamine

(2Z,4Z)-2-N-[(3Z,5Z)-3-ethenyl-5-propan-2-ylhepta-1,3,5-trien-2-yl]-3-N,6-dimethylhepta-2,4,6-triene-2,3-diamine (PubChem CID 134421910) has the molecular formula C21H32N2 and a molecular weight of 312.50 g/mol. Its IUPAC name is (2Z,4Z)-2-N-[(3Z,5Z)-3-ethenyl-5-propan-2-ylhepta-1,3,5-trien-2-yl]-3-N,6-dimethylhepta-2,4,6-triene-2,3-diamine.

Molecular Properties

Compound Name(2Z,4Z)-2-N-[(3Z,5Z)-3-ethenyl-5-propan-2-ylhepta-1,3,5-trien-2-yl]-3-N,6-dimethylhepta-2,4,6-triene-2,3-diamine
PubChem CID134421910
Molecular FormulaC21H32N2
Molecular Weight312.50 g/mol
Exact Mass312.26
IUPAC Name(2Z,4Z)-2-N-[(3Z,5Z)-3-ethenyl-5-propan-2-ylhepta-1,3,5-trien-2-yl]-3-N,6-dimethylhepta-2,4,6-triene-2,3-diamine
SMILESC=C/C(=C/C(=C\C)C(C)C)C(=C)N/C(C)=C(/C=C\C(=C)C)NC
InChIInChI=1S/C21H32N2/c1-10-19(16(5)6)14-20(11-2)17(7)23-18(8)21(22-9)13-12-15(3)4/h10-14,16,22-23H,2-3,7H2,1,4-6,8-9H3/b13-12-,19-10+,20-14-,21-18-
InChIKeyNSTMXZHYFMOOHP-VCTUIPBKSA-N
XLogP5.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-2-N-[(3Z,5Z)-3-ethenyl-5-propan-2-ylhepta-1,3,5-trien-2-yl]-3-N,6-dimethylhepta-2,4,6-triene-2,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-N-[(3Z,5Z)-3-ethenyl-5-propan-2-ylhepta-1,3,5-trien-2-yl]-3-N,6-dimethylhepta-2,4,6-triene-2,3-diamine?
The IUPAC name of (2Z,4Z)-2-N-[(3Z,5Z)-3-ethenyl-5-propan-2-ylhepta-1,3,5-trien-2-yl]-3-N,6-dimethylhepta-2,4,6-triene-2,3-diamine (CID 134421910) is (2Z,4Z)-2-N-[(3Z,5Z)-3-ethenyl-5-propan-2-ylhepta-1,3,5-trien-2-yl]-3-N,6-dimethylhepta-2,4,6-triene-2,3-diamine.
What is the SMILES notation for (2Z,4Z)-2-N-[(3Z,5Z)-3-ethenyl-5-propan-2-ylhepta-1,3,5-trien-2-yl]-3-N,6-dimethylhepta-2,4,6-triene-2,3-diamine?
The canonical SMILES for (2Z,4Z)-2-N-[(3Z,5Z)-3-ethenyl-5-propan-2-ylhepta-1,3,5-trien-2-yl]-3-N,6-dimethylhepta-2,4,6-triene-2,3-diamine is C=C/C(=C/C(=C\C)C(C)C)C(=C)N/C(C)=C(/C=C\C(=C)C)NC.
What is the InChIKey of (2Z,4Z)-2-N-[(3Z,5Z)-3-ethenyl-5-propan-2-ylhepta-1,3,5-trien-2-yl]-3-N,6-dimethylhepta-2,4,6-triene-2,3-diamine?
The InChIKey is NSTMXZHYFMOOHP-VCTUIPBKSA-N. The full InChI is InChI=1S/C21H32N2/c1-10-19(16(5)6)14-20(11-2)17(7)23-18(8)21(22-9)13-12-15(3)4/h10-14,16,22-23H,2-3,7H2,1,4-6,8-9H3/b13-12-,19-10+,20-14-,21-18-.
What are the key properties of (2Z,4Z)-2-N-[(3Z,5Z)-3-ethenyl-5-propan-2-ylhepta-1,3,5-trien-2-yl]-3-N,6-dimethylhepta-2,4,6-triene-2,3-diamine?
(2Z,4Z)-2-N-[(3Z,5Z)-3-ethenyl-5-propan-2-ylhepta-1,3,5-trien-2-yl]-3-N,6-dimethylhepta-2,4,6-triene-2,3-diamine has a molecular weight of 312.50 g/mol, XLogP of 5.39, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-N-[(3Z,5Z)-3-ethenyl-5-propan-2-ylhepta-1,3,5-trien-2-yl]-3-N,6-dimethylhepta-2,4,6-triene-2,3-diamine is sourced from PubChem (CID 134421910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).