(3Z,5E)-7-[(3E,5Z)-3-methylhepta-3,5-dienyl]imino-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine

C18H26N2 — CID 138498194

IUPAC(3Z,5E)-7-[(3E,5Z)-3-methylhepta-3,5-dienyl]imino-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine
SMILESC=C(C)NC(=C)/C=C\C=C\C=N\CC/C(C)=C/C=C\C
InChIInChI=1S/C18H26N2/c1-6-7-11-17(4)13-15-19-14-10-8-9-12-18(5)20-16(2)3/h6-12,14,20H,2,5,13,15H2,1,3-4H3/b7-6-,10-8+,12-9-,17-11+,19-14+
InChIKeyPURBYRMNZYFDSA-SLXNMXBISA-N
MW270.42 g/mol
LogP4.72
Rot. Bonds9

About (3Z,5E)-7-[(3E,5Z)-3-methylhepta-3,5-dienyl]imino-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine

(3Z,5E)-7-[(3E,5Z)-3-methylhepta-3,5-dienyl]imino-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine (PubChem CID 138498194) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (3Z,5E)-7-[(3E,5Z)-3-methylhepta-3,5-dienyl]imino-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z,5E)-7-[(3E,5Z)-3-methylhepta-3,5-dienyl]imino-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine
PubChem CID138498194
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name(3Z,5E)-7-[(3E,5Z)-3-methylhepta-3,5-dienyl]imino-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine
SMILESC=C(C)NC(=C)/C=C\C=C\C=N\CC/C(C)=C/C=C\C
InChIInChI=1S/C18H26N2/c1-6-7-11-17(4)13-15-19-14-10-8-9-12-18(5)20-16(2)3/h6-12,14,20H,2,5,13,15H2,1,3-4H3/b7-6-,10-8+,12-9-,17-11+,19-14+
InChIKeyPURBYRMNZYFDSA-SLXNMXBISA-N
XLogP4.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-7-[(3E,5Z)-3-methylhepta-3,5-dienyl]imino-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine?
The IUPAC name of (3Z,5E)-7-[(3E,5Z)-3-methylhepta-3,5-dienyl]imino-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine (CID 138498194) is (3Z,5E)-7-[(3E,5Z)-3-methylhepta-3,5-dienyl]imino-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z,5E)-7-[(3E,5Z)-3-methylhepta-3,5-dienyl]imino-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine?
The canonical SMILES for (3Z,5E)-7-[(3E,5Z)-3-methylhepta-3,5-dienyl]imino-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine is C=C(C)NC(=C)/C=C\C=C\C=N\CC/C(C)=C/C=C\C.
What is the InChIKey of (3Z,5E)-7-[(3E,5Z)-3-methylhepta-3,5-dienyl]imino-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine?
The InChIKey is PURBYRMNZYFDSA-SLXNMXBISA-N. The full InChI is InChI=1S/C18H26N2/c1-6-7-11-17(4)13-15-19-14-10-8-9-12-18(5)20-16(2)3/h6-12,14,20H,2,5,13,15H2,1,3-4H3/b7-6-,10-8+,12-9-,17-11+,19-14+.
What are the key properties of (3Z,5E)-7-[(3E,5Z)-3-methylhepta-3,5-dienyl]imino-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine?
(3Z,5E)-7-[(3E,5Z)-3-methylhepta-3,5-dienyl]imino-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine has a molecular weight of 270.42 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-7-[(3E,5Z)-3-methylhepta-3,5-dienyl]imino-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine is sourced from PubChem (CID 138498194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).