(2Z,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-(methylideneamino)-N-propan-2-ylhepta-2,4,6-trien-2-amine

C18H26N2 — CID 146339365

IUPAC(2Z,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-(methylideneamino)-N-propan-2-ylhepta-2,4,6-trien-2-amine
SMILESC=C/C=C\C(N=C)=C(/C)N(C/C(C=C)=C/C=C)C(C)C
InChIInChI=1S/C18H26N2/c1-8-11-13-18(19-7)16(6)20(15(4)5)14-17(10-3)12-9-2/h8-13,15H,1-3,7,14H2,4-6H3/b13-11-,17-12+,18-16-
InChIKeyQXERSDLHSMUOJC-BMFVAXRNSA-N
MW270.42 g/mol
LogP4.67
Rot. Bonds9

About (2Z,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-(methylideneamino)-N-propan-2-ylhepta-2,4,6-trien-2-amine

(2Z,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-(methylideneamino)-N-propan-2-ylhepta-2,4,6-trien-2-amine (PubChem CID 146339365) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (2Z,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-(methylideneamino)-N-propan-2-ylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-(methylideneamino)-N-propan-2-ylhepta-2,4,6-trien-2-amine
PubChem CID146339365
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name(2Z,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-(methylideneamino)-N-propan-2-ylhepta-2,4,6-trien-2-amine
SMILESC=C/C=C\C(N=C)=C(/C)N(C/C(C=C)=C/C=C)C(C)C
InChIInChI=1S/C18H26N2/c1-8-11-13-18(19-7)16(6)20(15(4)5)14-17(10-3)12-9-2/h8-13,15H,1-3,7,14H2,4-6H3/b13-11-,17-12+,18-16-
InChIKeyQXERSDLHSMUOJC-BMFVAXRNSA-N
XLogP4.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.67
H-Bond Donors ≤ 50
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 (2Z,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-(methylideneamino)-N-propan-2-ylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2Z,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-(methylideneamino)-N-propan-2-ylhepta-2,4,6-trien-2-amine (CID 146339365) is (2Z,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-(methylideneamino)-N-propan-2-ylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2Z,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-(methylideneamino)-N-propan-2-ylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2Z,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-(methylideneamino)-N-propan-2-ylhepta-2,4,6-trien-2-amine is C=C/C=C\C(N=C)=C(/C)N(C/C(C=C)=C/C=C)C(C)C.
What is the InChIKey of (2Z,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-(methylideneamino)-N-propan-2-ylhepta-2,4,6-trien-2-amine?
The InChIKey is QXERSDLHSMUOJC-BMFVAXRNSA-N. The full InChI is InChI=1S/C18H26N2/c1-8-11-13-18(19-7)16(6)20(15(4)5)14-17(10-3)12-9-2/h8-13,15H,1-3,7,14H2,4-6H3/b13-11-,17-12+,18-16-.
What are the key properties of (2Z,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-(methylideneamino)-N-propan-2-ylhepta-2,4,6-trien-2-amine?
(2Z,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-(methylideneamino)-N-propan-2-ylhepta-2,4,6-trien-2-amine has a molecular weight of 270.42 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-(methylideneamino)-N-propan-2-ylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 146339365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).