N-methyldodec-2-en-4-imine

C13H25N — CID 123853785

IUPACN-methyldodec-2-en-4-imine
SMILESCC=C/C(CCCCCCCC)=N\C
InChIInChI=1S/C13H25N/c1-4-6-7-8-9-10-12-13(14-3)11-5-2/h5,11H,4,6-10,12H2,1-3H3/b11-5?,14-13+
InChIKeyKTSSWEUERHXJFC-LMGCAIFZSA-N
MW195.35 g/mol
LogP4.38
Rot. Bonds8

About N-methyldodec-2-en-4-imine

N-methyldodec-2-en-4-imine (PubChem CID 123853785) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-methyldodec-2-en-4-imine.

Molecular Properties

Compound NameN-methyldodec-2-en-4-imine
PubChem CID123853785
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-methyldodec-2-en-4-imine
SMILESCC=C/C(CCCCCCCC)=N\C
InChIInChI=1S/C13H25N/c1-4-6-7-8-9-10-12-13(14-3)11-5-2/h5,11H,4,6-10,12H2,1-3H3/b11-5?,14-13+
InChIKeyKTSSWEUERHXJFC-LMGCAIFZSA-N
XLogP4.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.38
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

(Z)-N-ethenylnon-2-en-4-imine
CID 144801095
(E,4E)-4-ethylidenedodec-2-ene
CID 144930771
tridec-2-en-4-one
CID 3025768
(E)-undec-2-en-4-one
CID 11550066
undec-2-en-4-one
CID 54475106
(E)-4-methylideneundec-2-ene
CID 13425645
N-[(Z)-oct-2-en-4-ylidene]methanimidamide
CID 118327149
ethane;ethene;(E)-4-methylideneundec-2-ene
CID 143978439
but-2-enoic acid;tetracosane
CID 159276528
6-ethylidenehexadecane
CID 169207706
3-prop-1-enylundec-2-enal
CID 54027227
(E,4Z)-4-(chloromethylidene)non-2-ene
CID 134863990

Frequently Asked Questions

What is the IUPAC name of N-methyldodec-2-en-4-imine?
The IUPAC name of N-methyldodec-2-en-4-imine (CID 123853785) is N-methyldodec-2-en-4-imine.
What is the SMILES notation for N-methyldodec-2-en-4-imine?
The canonical SMILES for N-methyldodec-2-en-4-imine is CC=C/C(CCCCCCCC)=N\C.
What is the InChIKey of N-methyldodec-2-en-4-imine?
The InChIKey is KTSSWEUERHXJFC-LMGCAIFZSA-N. The full InChI is InChI=1S/C13H25N/c1-4-6-7-8-9-10-12-13(14-3)11-5-2/h5,11H,4,6-10,12H2,1-3H3/b11-5?,14-13+.
What are the key properties of N-methyldodec-2-en-4-imine?
N-methyldodec-2-en-4-imine has a molecular weight of 195.35 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyldodec-2-en-4-imine is sourced from PubChem (CID 123853785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).