(E)-3,11-dimethyltetradec-2-en-1-imine

C16H31N — CID 118358413

IUPAC(E)-3,11-dimethyltetradec-2-en-1-imine
SMILES[H]/N=C/C=C(\C)CCCCCCCC(C)CCC
InChIInChI=1S/C16H31N/c1-4-10-15(2)11-8-6-5-7-9-12-16(3)13-14-17/h13-15,17H,4-12H2,1-3H3/b16-13+,17-14+
InChIKeyDDNMIPYAIUHDDO-DISAMGIASA-N
MW237.43 g/mol
LogP5.75
Rot. Bonds11

About (E)-3,11-dimethyltetradec-2-en-1-imine

(E)-3,11-dimethyltetradec-2-en-1-imine (PubChem CID 118358413) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is (E)-3,11-dimethyltetradec-2-en-1-imine.

Molecular Properties

Compound Name(E)-3,11-dimethyltetradec-2-en-1-imine
PubChem CID118358413
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name(E)-3,11-dimethyltetradec-2-en-1-imine
SMILES[H]/N=C/C=C(\C)CCCCCCCC(C)CCC
InChIInChI=1S/C16H31N/c1-4-10-15(2)11-8-6-5-7-9-12-16(3)13-14-17/h13-15,17H,4-12H2,1-3H3/b16-13+,17-14+
InChIKeyDDNMIPYAIUHDDO-DISAMGIASA-N
XLogP5.75
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.43
LogP ≤ 55.75
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (E)-3,11-dimethyltetradec-2-en-1-imine?
The IUPAC name of (E)-3,11-dimethyltetradec-2-en-1-imine (CID 118358413) is (E)-3,11-dimethyltetradec-2-en-1-imine.
What is the SMILES notation for (E)-3,11-dimethyltetradec-2-en-1-imine?
The canonical SMILES for (E)-3,11-dimethyltetradec-2-en-1-imine is [H]/N=C/C=C(\C)CCCCCCCC(C)CCC.
What is the InChIKey of (E)-3,11-dimethyltetradec-2-en-1-imine?
The InChIKey is DDNMIPYAIUHDDO-DISAMGIASA-N. The full InChI is InChI=1S/C16H31N/c1-4-10-15(2)11-8-6-5-7-9-12-16(3)13-14-17/h13-15,17H,4-12H2,1-3H3/b16-13+,17-14+.
What are the key properties of (E)-3,11-dimethyltetradec-2-en-1-imine?
(E)-3,11-dimethyltetradec-2-en-1-imine has a molecular weight of 237.43 g/mol, XLogP of 5.75, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,11-dimethyltetradec-2-en-1-imine is sourced from PubChem (CID 118358413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).