N-[7-(2,2-dimethylbutyl)-5,9,10-trimethyl-4-methylidenedodeca-6,10-dien-6-yl]methanimine

C23H41N — CID 123928685

IUPACN-[7-(2,2-dimethylbutyl)-5,9,10-trimethyl-4-methylidenedodeca-6,10-dien-6-yl]methanimine
SMILESC=NC(=C(CC(C)C(C)=CC)CC(C)(C)CC)C(C)C(=C)CCC
InChIInChI=1S/C23H41N/c1-11-14-18(5)20(7)22(24-10)21(16-23(8,9)13-3)15-19(6)17(4)12-2/h12,19-20H,5,10-11,13-16H2,1-4,6-9H3
InChIKeyPRRATCDSKJEOBX-UHFFFAOYSA-N
MW331.59 g/mol
LogP7.75
Rot. Bonds11

About N-[7-(2,2-dimethylbutyl)-5,9,10-trimethyl-4-methylidenedodeca-6,10-dien-6-yl]methanimine

N-[7-(2,2-dimethylbutyl)-5,9,10-trimethyl-4-methylidenedodeca-6,10-dien-6-yl]methanimine (PubChem CID 123928685) has the molecular formula C23H41N and a molecular weight of 331.59 g/mol. Its IUPAC name is N-[7-(2,2-dimethylbutyl)-5,9,10-trimethyl-4-methylidenedodeca-6,10-dien-6-yl]methanimine.

Molecular Properties

Compound NameN-[7-(2,2-dimethylbutyl)-5,9,10-trimethyl-4-methylidenedodeca-6,10-dien-6-yl]methanimine
PubChem CID123928685
Molecular FormulaC23H41N
Molecular Weight331.59 g/mol
Exact Mass331.32
IUPAC NameN-[7-(2,2-dimethylbutyl)-5,9,10-trimethyl-4-methylidenedodeca-6,10-dien-6-yl]methanimine
SMILESC=NC(=C(CC(C)C(C)=CC)CC(C)(C)CC)C(C)C(=C)CCC
InChIInChI=1S/C23H41N/c1-11-14-18(5)20(7)22(24-10)21(16-23(8,9)13-3)15-19(6)17(4)12-2/h12,19-20H,5,10-11,13-16H2,1-4,6-9H3
InChIKeyPRRATCDSKJEOBX-UHFFFAOYSA-N
XLogP7.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.59
LogP ≤ 57.75
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'}

Analyze N-[7-(2,2-dimethylbutyl)-5,9,10-trimethyl-4-methylidenedodeca-6,10-dien-6-yl]methanimine with MolForge

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Related Compounds

N'-(3,9-dimethylpentadec-4-en-5-yl)-N-methylidenemethanimidamide
CID 123287129
N-[(Z,9R)-3,4,6,6,9,11-hexamethylhexadec-4-en-8-yl]methanimine
CID 126641636
N-[2-[(E)-oct-4-en-3-yl]cyclohexen-1-yl]methanimine
CID 130336680
ethane;(2Z)-2-ethylidene-N-(6-ethyl-4-propylocta-1,2-dien-3-yl)pentan-1-imine
CID 141877157
ethane;(2Z)-2-ethylidene-N-(4-propylocta-1,2-dien-3-yl)hexan-1-imine
CID 141940429
(2Z)-N-(6-butyl-4-propyldeca-1,2-dien-3-yl)-2-ethylidenehexan-1-imine;ethane
CID 141940555
ethane;N-[(1Z)-1-[1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclohexyl]buta-1,3-dienyl]methanimine
CID 144085379
N-[(2Z,4Z)-6,7,7,9,9-pentamethylundeca-2,4-dien-5-yl]methanimine
CID 144504826
ethane;N-[(3Z)-5,6,6,8,8,9-hexamethyldeca-1,3-dien-4-yl]methanimine
CID 144504970
N-[(2Z,4Z)-6,6,8,8,11-pentamethyldodeca-2,4-dien-5-yl]methanimine
CID 155070922
N-[(2Z,5Z,7Z)-3-tert-butyl-10-ethyldodeca-2,5,7-trien-5-yl]methanimine
CID 170202536
N-[(3R,6S)-4,6-dimethyl-3-[(2E,7Z)-nona-2,7-dien-2-yl]cyclohexen-1-yl]methanimine
CID 173835506

Frequently Asked Questions

What is the IUPAC name of N-[7-(2,2-dimethylbutyl)-5,9,10-trimethyl-4-methylidenedodeca-6,10-dien-6-yl]methanimine?
The IUPAC name of N-[7-(2,2-dimethylbutyl)-5,9,10-trimethyl-4-methylidenedodeca-6,10-dien-6-yl]methanimine (CID 123928685) is N-[7-(2,2-dimethylbutyl)-5,9,10-trimethyl-4-methylidenedodeca-6,10-dien-6-yl]methanimine.
What is the SMILES notation for N-[7-(2,2-dimethylbutyl)-5,9,10-trimethyl-4-methylidenedodeca-6,10-dien-6-yl]methanimine?
The canonical SMILES for N-[7-(2,2-dimethylbutyl)-5,9,10-trimethyl-4-methylidenedodeca-6,10-dien-6-yl]methanimine is C=NC(=C(CC(C)C(C)=CC)CC(C)(C)CC)C(C)C(=C)CCC.
What is the InChIKey of N-[7-(2,2-dimethylbutyl)-5,9,10-trimethyl-4-methylidenedodeca-6,10-dien-6-yl]methanimine?
The InChIKey is PRRATCDSKJEOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N/c1-11-14-18(5)20(7)22(24-10)21(16-23(8,9)13-3)15-19(6)17(4)12-2/h12,19-20H,5,10-11,13-16H2,1-4,6-9H3.
What are the key properties of N-[7-(2,2-dimethylbutyl)-5,9,10-trimethyl-4-methylidenedodeca-6,10-dien-6-yl]methanimine?
N-[7-(2,2-dimethylbutyl)-5,9,10-trimethyl-4-methylidenedodeca-6,10-dien-6-yl]methanimine has a molecular weight of 331.59 g/mol, XLogP of 7.75, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2,2-dimethylbutyl)-5,9,10-trimethyl-4-methylidenedodeca-6,10-dien-6-yl]methanimine is sourced from PubChem (CID 123928685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).