(1E,3Z,5Z)-2-(cyclobutylidenemethyl)-N-ethenyl-4-methyl-1-(methylideneamino)nona-1,3,5-trien-3-amine

C18H26N2 — CID 126514944

IUPAC(1E,3Z,5Z)-2-(cyclobutylidenemethyl)-N-ethenyl-4-methyl-1-(methylideneamino)nona-1,3,5-trien-3-amine
SMILESC=CNC(=C(C)\C=C/CCC)/C(C=C1CCC1)=C/N=C
InChIInChI=1S/C18H26N2/c1-5-7-8-10-15(3)18(20-6-2)17(14-19-4)13-16-11-9-12-16/h6,8,10,13-14,20H,2,4-5,7,9,11-12H2,1,3H3/b10-8-,17-14+,18-15-
InChIKeyQTFXHEUWYAOQTD-RLBVURDLSA-N
MW270.42 g/mol
LogP5.04
Rot. Bonds8

About (1E,3Z,5Z)-2-(cyclobutylidenemethyl)-N-ethenyl-4-methyl-1-(methylideneamino)nona-1,3,5-trien-3-amine

(1E,3Z,5Z)-2-(cyclobutylidenemethyl)-N-ethenyl-4-methyl-1-(methylideneamino)nona-1,3,5-trien-3-amine (PubChem CID 126514944) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (1E,3Z,5Z)-2-(cyclobutylidenemethyl)-N-ethenyl-4-methyl-1-(methylideneamino)nona-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(1E,3Z,5Z)-2-(cyclobutylidenemethyl)-N-ethenyl-4-methyl-1-(methylideneamino)nona-1,3,5-trien-3-amine
PubChem CID126514944
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name(1E,3Z,5Z)-2-(cyclobutylidenemethyl)-N-ethenyl-4-methyl-1-(methylideneamino)nona-1,3,5-trien-3-amine
SMILESC=CNC(=C(C)\C=C/CCC)/C(C=C1CCC1)=C/N=C
InChIInChI=1S/C18H26N2/c1-5-7-8-10-15(3)18(20-6-2)17(14-19-4)13-16-11-9-12-16/h6,8,10,13-14,20H,2,4-5,7,9,11-12H2,1,3H3/b10-8-,17-14+,18-15-
InChIKeyQTFXHEUWYAOQTD-RLBVURDLSA-N
XLogP5.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.04
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 (1E,3Z,5Z)-2-(cyclobutylidenemethyl)-N-ethenyl-4-methyl-1-(methylideneamino)nona-1,3,5-trien-3-amine?
The IUPAC name of (1E,3Z,5Z)-2-(cyclobutylidenemethyl)-N-ethenyl-4-methyl-1-(methylideneamino)nona-1,3,5-trien-3-amine (CID 126514944) is (1E,3Z,5Z)-2-(cyclobutylidenemethyl)-N-ethenyl-4-methyl-1-(methylideneamino)nona-1,3,5-trien-3-amine.
What is the SMILES notation for (1E,3Z,5Z)-2-(cyclobutylidenemethyl)-N-ethenyl-4-methyl-1-(methylideneamino)nona-1,3,5-trien-3-amine?
The canonical SMILES for (1E,3Z,5Z)-2-(cyclobutylidenemethyl)-N-ethenyl-4-methyl-1-(methylideneamino)nona-1,3,5-trien-3-amine is C=CNC(=C(C)\C=C/CCC)/C(C=C1CCC1)=C/N=C.
What is the InChIKey of (1E,3Z,5Z)-2-(cyclobutylidenemethyl)-N-ethenyl-4-methyl-1-(methylideneamino)nona-1,3,5-trien-3-amine?
The InChIKey is QTFXHEUWYAOQTD-RLBVURDLSA-N. The full InChI is InChI=1S/C18H26N2/c1-5-7-8-10-15(3)18(20-6-2)17(14-19-4)13-16-11-9-12-16/h6,8,10,13-14,20H,2,4-5,7,9,11-12H2,1,3H3/b10-8-,17-14+,18-15-.
What are the key properties of (1E,3Z,5Z)-2-(cyclobutylidenemethyl)-N-ethenyl-4-methyl-1-(methylideneamino)nona-1,3,5-trien-3-amine?
(1E,3Z,5Z)-2-(cyclobutylidenemethyl)-N-ethenyl-4-methyl-1-(methylideneamino)nona-1,3,5-trien-3-amine has a molecular weight of 270.42 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-2-(cyclobutylidenemethyl)-N-ethenyl-4-methyl-1-(methylideneamino)nona-1,3,5-trien-3-amine is sourced from PubChem (CID 126514944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).