N-butyl-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaen-1-imine

C19H27N — CID 72660199

IUPACN-butyl-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaen-1-imine
SMILESC=CC(=C)C=CC=C(C)C=CC=C(C)/C=N/CCCC
InChIInChI=1S/C19H27N/c1-6-8-15-20-16-19(5)14-10-13-18(4)12-9-11-17(3)7-2/h7,9-14,16H,2-3,6,8,15H2,1,4-5H3/b11-9?,13-10?,18-12?,19-14?,20-16+
InChIKeyFRJVVMYEQJVBBV-GXWFRUBCSA-N
MW269.43 g/mol
LogP5.60
Rot. Bonds9

About N-butyl-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaen-1-imine

N-butyl-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaen-1-imine (PubChem CID 72660199) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-butyl-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaen-1-imine.

Molecular Properties

Compound NameN-butyl-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaen-1-imine
PubChem CID72660199
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-butyl-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaen-1-imine
SMILESC=CC(=C)C=CC=C(C)C=CC=C(C)/C=N/CCCC
InChIInChI=1S/C19H27N/c1-6-8-15-20-16-19(5)14-10-13-18(4)12-9-11-17(3)7-2/h7,9-14,16H,2-3,6,8,15H2,1,4-5H3/b11-9?,13-10?,18-12?,19-14?,20-16+
InChIKeyFRJVVMYEQJVBBV-GXWFRUBCSA-N
XLogP5.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.60
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 126516076
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CID 143621189
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1-(4-methylbenzene-6-id-1-yl)-N-[2-[(2-methylbenzene-6-id-1-yl)methylideneamino]ethyl]methanimine;bis(yttrium)
CID 58604558
1-cyclohexa-1,3-dien-1-yl-N-methylmethanimine
CID 59809511
(2E,4E,6E,8E)-N-butyl-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-imine
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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaen-1-imine?
The IUPAC name of N-butyl-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaen-1-imine (CID 72660199) is N-butyl-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaen-1-imine.
What is the SMILES notation for N-butyl-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaen-1-imine?
The canonical SMILES for N-butyl-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaen-1-imine is C=CC(=C)C=CC=C(C)C=CC=C(C)/C=N/CCCC.
What is the InChIKey of N-butyl-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaen-1-imine?
The InChIKey is FRJVVMYEQJVBBV-GXWFRUBCSA-N. The full InChI is InChI=1S/C19H27N/c1-6-8-15-20-16-19(5)14-10-13-18(4)12-9-11-17(3)7-2/h7,9-14,16H,2-3,6,8,15H2,1,4-5H3/b11-9?,13-10?,18-12?,19-14?,20-16+.
What are the key properties of N-butyl-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaen-1-imine?
N-butyl-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaen-1-imine has a molecular weight of 269.43 g/mol, XLogP of 5.60, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaen-1-imine is sourced from PubChem (CID 72660199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).