(2Z,4E,6Z)-3-ethenyl-5-(N-ethenyl-C-methylcarbonimidoyl)-N,2,4-trimethylocta-2,4,6-trien-1-amine

C17H26N2 — CID 138750425

IUPAC(2Z,4E,6Z)-3-ethenyl-5-(N-ethenyl-C-methylcarbonimidoyl)-N,2,4-trimethylocta-2,4,6-trien-1-amine
SMILESC=C/N=C(C)/C(/C=C\C)=C(C)/C(C=C)=C(/C)CNC
InChIInChI=1S/C17H26N2/c1-8-11-17(15(6)19-10-3)14(5)16(9-2)13(4)12-18-7/h8-11,18H,2-3,12H2,1,4-7H3/b11-8-,16-13-,17-14+,19-15+
InChIKeyRHPUKSYVECPCHA-CTEIZUKHSA-N
MW258.41 g/mol
LogP4.21
Rot. Bonds7

About (2Z,4E,6Z)-3-ethenyl-5-(N-ethenyl-C-methylcarbonimidoyl)-N,2,4-trimethylocta-2,4,6-trien-1-amine

(2Z,4E,6Z)-3-ethenyl-5-(N-ethenyl-C-methylcarbonimidoyl)-N,2,4-trimethylocta-2,4,6-trien-1-amine (PubChem CID 138750425) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (2Z,4E,6Z)-3-ethenyl-5-(N-ethenyl-C-methylcarbonimidoyl)-N,2,4-trimethylocta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2Z,4E,6Z)-3-ethenyl-5-(N-ethenyl-C-methylcarbonimidoyl)-N,2,4-trimethylocta-2,4,6-trien-1-amine
PubChem CID138750425
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(2Z,4E,6Z)-3-ethenyl-5-(N-ethenyl-C-methylcarbonimidoyl)-N,2,4-trimethylocta-2,4,6-trien-1-amine
SMILESC=C/N=C(C)/C(/C=C\C)=C(C)/C(C=C)=C(/C)CNC
InChIInChI=1S/C17H26N2/c1-8-11-17(15(6)19-10-3)14(5)16(9-2)13(4)12-18-7/h8-11,18H,2-3,12H2,1,4-7H3/b11-8-,16-13-,17-14+,19-15+
InChIKeyRHPUKSYVECPCHA-CTEIZUKHSA-N
XLogP4.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.21
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 (2Z,4E,6Z)-3-ethenyl-5-(N-ethenyl-C-methylcarbonimidoyl)-N,2,4-trimethylocta-2,4,6-trien-1-amine?
The IUPAC name of (2Z,4E,6Z)-3-ethenyl-5-(N-ethenyl-C-methylcarbonimidoyl)-N,2,4-trimethylocta-2,4,6-trien-1-amine (CID 138750425) is (2Z,4E,6Z)-3-ethenyl-5-(N-ethenyl-C-methylcarbonimidoyl)-N,2,4-trimethylocta-2,4,6-trien-1-amine.
What is the SMILES notation for (2Z,4E,6Z)-3-ethenyl-5-(N-ethenyl-C-methylcarbonimidoyl)-N,2,4-trimethylocta-2,4,6-trien-1-amine?
The canonical SMILES for (2Z,4E,6Z)-3-ethenyl-5-(N-ethenyl-C-methylcarbonimidoyl)-N,2,4-trimethylocta-2,4,6-trien-1-amine is C=C/N=C(C)/C(/C=C\C)=C(C)/C(C=C)=C(/C)CNC.
What is the InChIKey of (2Z,4E,6Z)-3-ethenyl-5-(N-ethenyl-C-methylcarbonimidoyl)-N,2,4-trimethylocta-2,4,6-trien-1-amine?
The InChIKey is RHPUKSYVECPCHA-CTEIZUKHSA-N. The full InChI is InChI=1S/C17H26N2/c1-8-11-17(15(6)19-10-3)14(5)16(9-2)13(4)12-18-7/h8-11,18H,2-3,12H2,1,4-7H3/b11-8-,16-13-,17-14+,19-15+.
What are the key properties of (2Z,4E,6Z)-3-ethenyl-5-(N-ethenyl-C-methylcarbonimidoyl)-N,2,4-trimethylocta-2,4,6-trien-1-amine?
(2Z,4E,6Z)-3-ethenyl-5-(N-ethenyl-C-methylcarbonimidoyl)-N,2,4-trimethylocta-2,4,6-trien-1-amine has a molecular weight of 258.41 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6Z)-3-ethenyl-5-(N-ethenyl-C-methylcarbonimidoyl)-N,2,4-trimethylocta-2,4,6-trien-1-amine is sourced from PubChem (CID 138750425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).