(E)-N,3,6,11,11,13-hexamethyltetradec-2-en-4-imine

C20H39N — CID 123850959

IUPAC(E)-N,3,6,11,11,13-hexamethyltetradec-2-en-4-imine
SMILESC/C=C(C)/C(CC(C)CCCCC(C)(C)CC(C)C)=N\C
InChIInChI=1S/C20H39N/c1-9-18(5)19(21-8)14-17(4)12-10-11-13-20(6,7)15-16(2)3/h9,16-17H,10-15H2,1-8H3/b18-9+,21-19-
InChIKeyAYOANJMAXIFXSY-INKSWTDTSA-N
MW293.54 g/mol
LogP6.68
Rot. Bonds10

About (E)-N,3,6,11,11,13-hexamethyltetradec-2-en-4-imine

(E)-N,3,6,11,11,13-hexamethyltetradec-2-en-4-imine (PubChem CID 123850959) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is (E)-N,3,6,11,11,13-hexamethyltetradec-2-en-4-imine.

Molecular Properties

Compound Name(E)-N,3,6,11,11,13-hexamethyltetradec-2-en-4-imine
PubChem CID123850959
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC Name(E)-N,3,6,11,11,13-hexamethyltetradec-2-en-4-imine
SMILESC/C=C(C)/C(CC(C)CCCCC(C)(C)CC(C)C)=N\C
InChIInChI=1S/C20H39N/c1-9-18(5)19(21-8)14-17(4)12-10-11-13-20(6,7)15-16(2)3/h9,16-17H,10-15H2,1-8H3/b18-9+,21-19-
InChIKeyAYOANJMAXIFXSY-INKSWTDTSA-N
XLogP6.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 56.68
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'}

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Related Compounds

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(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine
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(3E,10Z)-8-ethyl-14-fluoro-5,10-dimethyl-3-[(3Z)-2-methylhepta-1,3,6-trien-3-yl]-7-methylidene-N-prop-2-enyl-8-propyltetradeca-3,10-dien-2-imine
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(5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine
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CID 86038796
6-(3,4-Dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine
CID 153339001
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
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Frequently Asked Questions

What is the IUPAC name of (E)-N,3,6,11,11,13-hexamethyltetradec-2-en-4-imine?
The IUPAC name of (E)-N,3,6,11,11,13-hexamethyltetradec-2-en-4-imine (CID 123850959) is (E)-N,3,6,11,11,13-hexamethyltetradec-2-en-4-imine.
What is the SMILES notation for (E)-N,3,6,11,11,13-hexamethyltetradec-2-en-4-imine?
The canonical SMILES for (E)-N,3,6,11,11,13-hexamethyltetradec-2-en-4-imine is C/C=C(C)/C(CC(C)CCCCC(C)(C)CC(C)C)=N\C.
What is the InChIKey of (E)-N,3,6,11,11,13-hexamethyltetradec-2-en-4-imine?
The InChIKey is AYOANJMAXIFXSY-INKSWTDTSA-N. The full InChI is InChI=1S/C20H39N/c1-9-18(5)19(21-8)14-17(4)12-10-11-13-20(6,7)15-16(2)3/h9,16-17H,10-15H2,1-8H3/b18-9+,21-19-.
What are the key properties of (E)-N,3,6,11,11,13-hexamethyltetradec-2-en-4-imine?
(E)-N,3,6,11,11,13-hexamethyltetradec-2-en-4-imine has a molecular weight of 293.54 g/mol, XLogP of 6.68, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3,6,11,11,13-hexamethyltetradec-2-en-4-imine is sourced from PubChem (CID 123850959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).