N-[(4E,7Z,9Z)-3-methyl-6-methylidenedodeca-1,4,7,9-tetraen-4-yl]methanimine

C15H21N — CID 134256758

IUPACN-[(4E,7Z,9Z)-3-methyl-6-methylidenedodeca-1,4,7,9-tetraen-4-yl]methanimine
SMILESC=CC(C)/C(=C\C(=C)/C=C\C=C/CC)N=C
InChIInChI=1S/C15H21N/c1-6-8-9-10-11-13(3)12-15(16-5)14(4)7-2/h7-12,14H,2-3,5-6H2,1,4H3/b9-8-,11-10-,15-12+
InChIKeyCFYXLOHMUSCQMC-DNTDQBGHSA-N
MW215.34 g/mol
LogP4.47
Rot. Bonds7

About N-[(4E,7Z,9Z)-3-methyl-6-methylidenedodeca-1,4,7,9-tetraen-4-yl]methanimine

N-[(4E,7Z,9Z)-3-methyl-6-methylidenedodeca-1,4,7,9-tetraen-4-yl]methanimine (PubChem CID 134256758) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[(4E,7Z,9Z)-3-methyl-6-methylidenedodeca-1,4,7,9-tetraen-4-yl]methanimine.

Molecular Properties

Compound NameN-[(4E,7Z,9Z)-3-methyl-6-methylidenedodeca-1,4,7,9-tetraen-4-yl]methanimine
PubChem CID134256758
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-[(4E,7Z,9Z)-3-methyl-6-methylidenedodeca-1,4,7,9-tetraen-4-yl]methanimine
SMILESC=CC(C)/C(=C\C(=C)/C=C\C=C/CC)N=C
InChIInChI=1S/C15H21N/c1-6-8-9-10-11-13(3)12-15(16-5)14(4)7-2/h7-12,14H,2-3,5-6H2,1,4H3/b9-8-,11-10-,15-12+
InChIKeyCFYXLOHMUSCQMC-DNTDQBGHSA-N
XLogP4.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4E,7Z,9Z)-3-methyl-6-methylidenedodeca-1,4,7,9-tetraen-4-yl]methanimine?
The IUPAC name of N-[(4E,7Z,9Z)-3-methyl-6-methylidenedodeca-1,4,7,9-tetraen-4-yl]methanimine (CID 134256758) is N-[(4E,7Z,9Z)-3-methyl-6-methylidenedodeca-1,4,7,9-tetraen-4-yl]methanimine.
What is the SMILES notation for N-[(4E,7Z,9Z)-3-methyl-6-methylidenedodeca-1,4,7,9-tetraen-4-yl]methanimine?
The canonical SMILES for N-[(4E,7Z,9Z)-3-methyl-6-methylidenedodeca-1,4,7,9-tetraen-4-yl]methanimine is C=CC(C)/C(=C\C(=C)/C=C\C=C/CC)N=C.
What is the InChIKey of N-[(4E,7Z,9Z)-3-methyl-6-methylidenedodeca-1,4,7,9-tetraen-4-yl]methanimine?
The InChIKey is CFYXLOHMUSCQMC-DNTDQBGHSA-N. The full InChI is InChI=1S/C15H21N/c1-6-8-9-10-11-13(3)12-15(16-5)14(4)7-2/h7-12,14H,2-3,5-6H2,1,4H3/b9-8-,11-10-,15-12+.
What are the key properties of N-[(4E,7Z,9Z)-3-methyl-6-methylidenedodeca-1,4,7,9-tetraen-4-yl]methanimine?
N-[(4E,7Z,9Z)-3-methyl-6-methylidenedodeca-1,4,7,9-tetraen-4-yl]methanimine has a molecular weight of 215.34 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E,7Z,9Z)-3-methyl-6-methylidenedodeca-1,4,7,9-tetraen-4-yl]methanimine is sourced from PubChem (CID 134256758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).