N-[(1Z,3E)-2-(2,2-dimethylpropyl)-4,5,5-trimethylhexa-1,3-dienyl]methanimine

C15H27N — CID 137430122

IUPACN-[(1Z,3E)-2-(2,2-dimethylpropyl)-4,5,5-trimethylhexa-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C(/C)C(C)(C)C)CC(C)(C)C
InChIInChI=1S/C15H27N/c1-12(15(5,6)7)9-13(11-16-8)10-14(2,3)4/h9,11H,8,10H2,1-7H3/b12-9+,13-11+
InChIKeyNZOXSQPDLDQXJZ-RBDPUHSXSA-N
MW221.39 g/mol
LogP5.00
Rot. Bonds3

About N-[(1Z,3E)-2-(2,2-dimethylpropyl)-4,5,5-trimethylhexa-1,3-dienyl]methanimine

N-[(1Z,3E)-2-(2,2-dimethylpropyl)-4,5,5-trimethylhexa-1,3-dienyl]methanimine (PubChem CID 137430122) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-[(1Z,3E)-2-(2,2-dimethylpropyl)-4,5,5-trimethylhexa-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-2-(2,2-dimethylpropyl)-4,5,5-trimethylhexa-1,3-dienyl]methanimine
PubChem CID137430122
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-[(1Z,3E)-2-(2,2-dimethylpropyl)-4,5,5-trimethylhexa-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C(/C)C(C)(C)C)CC(C)(C)C
InChIInChI=1S/C15H27N/c1-12(15(5,6)7)9-13(11-16-8)10-14(2,3)4/h9,11H,8,10H2,1-7H3/b12-9+,13-11+
InChIKeyNZOXSQPDLDQXJZ-RBDPUHSXSA-N
XLogP5.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 55.00
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-[(1Z,3E)-2-(2,2-dimethylpropyl)-4,5,5-trimethylhexa-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-2-(2,2-dimethylpropyl)-4,5,5-trimethylhexa-1,3-dienyl]methanimine (CID 137430122) is N-[(1Z,3E)-2-(2,2-dimethylpropyl)-4,5,5-trimethylhexa-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-2-(2,2-dimethylpropyl)-4,5,5-trimethylhexa-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-2-(2,2-dimethylpropyl)-4,5,5-trimethylhexa-1,3-dienyl]methanimine is C=N/C=C(\C=C(/C)C(C)(C)C)CC(C)(C)C.
What is the InChIKey of N-[(1Z,3E)-2-(2,2-dimethylpropyl)-4,5,5-trimethylhexa-1,3-dienyl]methanimine?
The InChIKey is NZOXSQPDLDQXJZ-RBDPUHSXSA-N. The full InChI is InChI=1S/C15H27N/c1-12(15(5,6)7)9-13(11-16-8)10-14(2,3)4/h9,11H,8,10H2,1-7H3/b12-9+,13-11+.
What are the key properties of N-[(1Z,3E)-2-(2,2-dimethylpropyl)-4,5,5-trimethylhexa-1,3-dienyl]methanimine?
N-[(1Z,3E)-2-(2,2-dimethylpropyl)-4,5,5-trimethylhexa-1,3-dienyl]methanimine has a molecular weight of 221.39 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-2-(2,2-dimethylpropyl)-4,5,5-trimethylhexa-1,3-dienyl]methanimine is sourced from PubChem (CID 137430122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).