N-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-imine

C19H33N — CID 72660168

IUPACN-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-imine
SMILESCCCC/N=C/C=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C19H33N/c1-6-7-15-20-16-14-19(5)13-9-12-18(4)11-8-10-17(2)3/h10,12,14,16H,6-9,11,13,15H2,1-5H3/b18-12?,19-14?,20-16+
InChIKeyBEGDNBZGPWZWGJ-STYNEIBHSA-N
MW275.48 g/mol
LogP6.28
Rot. Bonds10

About N-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-imine

N-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-imine (PubChem CID 72660168) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-imine.

Molecular Properties

Compound NameN-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-imine
PubChem CID72660168
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-imine
SMILESCCCC/N=C/C=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C19H33N/c1-6-7-15-20-16-14-19(5)13-9-12-18(4)11-8-10-17(2)3/h10,12,14,16H,6-9,11,13,15H2,1-5H3/b18-12?,19-14?,20-16+
InChIKeyBEGDNBZGPWZWGJ-STYNEIBHSA-N
XLogP6.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-imine with MolForge

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Related Compounds

N-(2-Ethyl-2-hexenylidene)-1-heneicosanamine
CID 6435659
(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
Squalene N-methylimine
CID 6450082
2-ethyl-N-henicosylhex-2-en-1-imine
CID 58152
(Z)-N-ethyl-3-methylpent-2-en-1-imine
CID 14919843
(2E,6E)-N-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-imine
CID 60138462
(2E)-N-butyl-3,7-dimethylocta-2,6-dien-1-imine
CID 60138467
(2E,4E,6E,8E)-N-butyl-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-imine
CID 60138482
(2E)-N-butyl-2-methyl-6-methylideneocta-2,7-dien-1-imine
CID 60138487
(2E,6E)-N-butyl-2,6-dimethyl-10-methylidenedodeca-2,6,11-trien-1-imine
CID 60138502
5-methyl-3,4-dihydro-2H-azepine
CID 68099594

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-imine?
The IUPAC name of N-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-imine (CID 72660168) is N-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-imine.
What is the SMILES notation for N-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-imine?
The canonical SMILES for N-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-imine is CCCC/N=C/C=C(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of N-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-imine?
The InChIKey is BEGDNBZGPWZWGJ-STYNEIBHSA-N. The full InChI is InChI=1S/C19H33N/c1-6-7-15-20-16-14-19(5)13-9-12-18(4)11-8-10-17(2)3/h10,12,14,16H,6-9,11,13,15H2,1-5H3/b18-12?,19-14?,20-16+.
What are the key properties of N-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-imine?
N-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-imine has a molecular weight of 275.48 g/mol, XLogP of 6.28, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-imine is sourced from PubChem (CID 72660168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).