N-[(2Z,4Z)-6,6,8,8,11-pentamethyldodeca-2,4-dien-5-yl]methanimine

C18H33N — CID 155070922

IUPACN-[(2Z,4Z)-6,6,8,8,11-pentamethyldodeca-2,4-dien-5-yl]methanimine
SMILESC=N/C(=C\C=C/C)C(C)(C)CC(C)(C)CCC(C)C
InChIInChI=1S/C18H33N/c1-9-10-11-16(19-8)18(6,7)14-17(4,5)13-12-15(2)3/h9-11,15H,8,12-14H2,1-7H3/b10-9-,16-11-
InChIKeyNLJLGTXMVAQZTI-YIEJYADJSA-N
MW263.47 g/mol
LogP6.03
Rot. Bonds8

About N-[(2Z,4Z)-6,6,8,8,11-pentamethyldodeca-2,4-dien-5-yl]methanimine

N-[(2Z,4Z)-6,6,8,8,11-pentamethyldodeca-2,4-dien-5-yl]methanimine (PubChem CID 155070922) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N-[(2Z,4Z)-6,6,8,8,11-pentamethyldodeca-2,4-dien-5-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4Z)-6,6,8,8,11-pentamethyldodeca-2,4-dien-5-yl]methanimine
PubChem CID155070922
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN-[(2Z,4Z)-6,6,8,8,11-pentamethyldodeca-2,4-dien-5-yl]methanimine
SMILESC=N/C(=C\C=C/C)C(C)(C)CC(C)(C)CCC(C)C
InChIInChI=1S/C18H33N/c1-9-10-11-16(19-8)18(6,7)14-17(4,5)13-12-15(2)3/h9-11,15H,8,12-14H2,1-7H3/b10-9-,16-11-
InChIKeyNLJLGTXMVAQZTI-YIEJYADJSA-N
XLogP6.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 56.03
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)-6,6,8,8,11-pentamethyldodeca-2,4-dien-5-yl]methanimine?
The IUPAC name of N-[(2Z,4Z)-6,6,8,8,11-pentamethyldodeca-2,4-dien-5-yl]methanimine (CID 155070922) is N-[(2Z,4Z)-6,6,8,8,11-pentamethyldodeca-2,4-dien-5-yl]methanimine.
What is the SMILES notation for N-[(2Z,4Z)-6,6,8,8,11-pentamethyldodeca-2,4-dien-5-yl]methanimine?
The canonical SMILES for N-[(2Z,4Z)-6,6,8,8,11-pentamethyldodeca-2,4-dien-5-yl]methanimine is C=N/C(=C\C=C/C)C(C)(C)CC(C)(C)CCC(C)C.
What is the InChIKey of N-[(2Z,4Z)-6,6,8,8,11-pentamethyldodeca-2,4-dien-5-yl]methanimine?
The InChIKey is NLJLGTXMVAQZTI-YIEJYADJSA-N. The full InChI is InChI=1S/C18H33N/c1-9-10-11-16(19-8)18(6,7)14-17(4,5)13-12-15(2)3/h9-11,15H,8,12-14H2,1-7H3/b10-9-,16-11-.
What are the key properties of N-[(2Z,4Z)-6,6,8,8,11-pentamethyldodeca-2,4-dien-5-yl]methanimine?
N-[(2Z,4Z)-6,6,8,8,11-pentamethyldodeca-2,4-dien-5-yl]methanimine has a molecular weight of 263.47 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-6,6,8,8,11-pentamethyldodeca-2,4-dien-5-yl]methanimine is sourced from PubChem (CID 155070922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).