N-[(2Z,4Z)-5,8,8-trimethylnona-2,4-dien-4-yl]methanimine

C13H23N — CID 135280943

IUPACN-[(2Z,4Z)-5,8,8-trimethylnona-2,4-dien-4-yl]methanimine
SMILESC=NC(/C=C\C)=C(/C)CCC(C)(C)C
InChIInChI=1S/C13H23N/c1-7-8-12(14-6)11(2)9-10-13(3,4)5/h7-8H,6,9-10H2,1-5H3/b8-7-,12-11-
InChIKeyRSYLQYLPZRPRPL-MQEUWQHPSA-N
MW193.33 g/mol
LogP4.36
Rot. Bonds4

About N-[(2Z,4Z)-5,8,8-trimethylnona-2,4-dien-4-yl]methanimine

N-[(2Z,4Z)-5,8,8-trimethylnona-2,4-dien-4-yl]methanimine (PubChem CID 135280943) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-[(2Z,4Z)-5,8,8-trimethylnona-2,4-dien-4-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4Z)-5,8,8-trimethylnona-2,4-dien-4-yl]methanimine
PubChem CID135280943
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-[(2Z,4Z)-5,8,8-trimethylnona-2,4-dien-4-yl]methanimine
SMILESC=NC(/C=C\C)=C(/C)CCC(C)(C)C
InChIInChI=1S/C13H23N/c1-7-8-12(14-6)11(2)9-10-13(3,4)5/h7-8H,6,9-10H2,1-5H3/b8-7-,12-11-
InChIKeyRSYLQYLPZRPRPL-MQEUWQHPSA-N
XLogP4.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-[(2Z,4Z)-5,8,8-trimethylnona-2,4-dien-4-yl]methanimine?
The IUPAC name of N-[(2Z,4Z)-5,8,8-trimethylnona-2,4-dien-4-yl]methanimine (CID 135280943) is N-[(2Z,4Z)-5,8,8-trimethylnona-2,4-dien-4-yl]methanimine.
What is the SMILES notation for N-[(2Z,4Z)-5,8,8-trimethylnona-2,4-dien-4-yl]methanimine?
The canonical SMILES for N-[(2Z,4Z)-5,8,8-trimethylnona-2,4-dien-4-yl]methanimine is C=NC(/C=C\C)=C(/C)CCC(C)(C)C.
What is the InChIKey of N-[(2Z,4Z)-5,8,8-trimethylnona-2,4-dien-4-yl]methanimine?
The InChIKey is RSYLQYLPZRPRPL-MQEUWQHPSA-N. The full InChI is InChI=1S/C13H23N/c1-7-8-12(14-6)11(2)9-10-13(3,4)5/h7-8H,6,9-10H2,1-5H3/b8-7-,12-11-.
What are the key properties of N-[(2Z,4Z)-5,8,8-trimethylnona-2,4-dien-4-yl]methanimine?
N-[(2Z,4Z)-5,8,8-trimethylnona-2,4-dien-4-yl]methanimine has a molecular weight of 193.33 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-5,8,8-trimethylnona-2,4-dien-4-yl]methanimine is sourced from PubChem (CID 135280943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).