(Z)-2,2,4-trimethyl-N-[(3E)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]hex-4-en-3-imine

C15H24N2 — CID 129090816

IUPAC(Z)-2,2,4-trimethyl-N-[(3E)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]hex-4-en-3-imine
SMILESC=N/C=C(\C)C(=C)/N=C(C(\C)=C/C)/C(C)(C)C
InChIInChI=1S/C15H24N2/c1-9-11(2)14(15(5,6)7)17-13(4)12(3)10-16-8/h9-10H,4,8H2,1-3,5-7H3/b11-9-,12-10+,17-14-
InChIKeyKOESQNVPAOLZJP-WATYSTPNSA-N
MW232.37 g/mol
LogP4.56
Rot. Bonds4

About (Z)-2,2,4-trimethyl-N-[(3E)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]hex-4-en-3-imine

(Z)-2,2,4-trimethyl-N-[(3E)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]hex-4-en-3-imine (PubChem CID 129090816) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (Z)-2,2,4-trimethyl-N-[(3E)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]hex-4-en-3-imine.

Molecular Properties

Compound Name(Z)-2,2,4-trimethyl-N-[(3E)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]hex-4-en-3-imine
PubChem CID129090816
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(Z)-2,2,4-trimethyl-N-[(3E)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]hex-4-en-3-imine
SMILESC=N/C=C(\C)C(=C)/N=C(C(\C)=C/C)/C(C)(C)C
InChIInChI=1S/C15H24N2/c1-9-11(2)14(15(5,6)7)17-13(4)12(3)10-16-8/h9-10H,4,8H2,1-3,5-7H3/b11-9-,12-10+,17-14-
InChIKeyKOESQNVPAOLZJP-WATYSTPNSA-N
XLogP4.56
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.56
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 (Z)-2,2,4-trimethyl-N-[(3E)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]hex-4-en-3-imine?
The IUPAC name of (Z)-2,2,4-trimethyl-N-[(3E)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]hex-4-en-3-imine (CID 129090816) is (Z)-2,2,4-trimethyl-N-[(3E)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]hex-4-en-3-imine.
What is the SMILES notation for (Z)-2,2,4-trimethyl-N-[(3E)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]hex-4-en-3-imine?
The canonical SMILES for (Z)-2,2,4-trimethyl-N-[(3E)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]hex-4-en-3-imine is C=N/C=C(\C)C(=C)/N=C(C(\C)=C/C)/C(C)(C)C.
What is the InChIKey of (Z)-2,2,4-trimethyl-N-[(3E)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]hex-4-en-3-imine?
The InChIKey is KOESQNVPAOLZJP-WATYSTPNSA-N. The full InChI is InChI=1S/C15H24N2/c1-9-11(2)14(15(5,6)7)17-13(4)12(3)10-16-8/h9-10H,4,8H2,1-3,5-7H3/b11-9-,12-10+,17-14-.
What are the key properties of (Z)-2,2,4-trimethyl-N-[(3E)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]hex-4-en-3-imine?
(Z)-2,2,4-trimethyl-N-[(3E)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]hex-4-en-3-imine has a molecular weight of 232.37 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2,4-trimethyl-N-[(3E)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]hex-4-en-3-imine is sourced from PubChem (CID 129090816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).