4-ethyl-10-methylundec-1-en-3-imine

C14H27N — CID 123243555

IUPAC4-ethyl-10-methylundec-1-en-3-imine
SMILES[H]/N=C(\C=C)C(CC)CCCCCC(C)C
InChIInChI=1S/C14H27N/c1-5-13(14(15)6-2)11-9-7-8-10-12(3)4/h6,12-13,15H,2,5,7-11H2,1,3-4H3/b15-14+
InChIKeyVMGLYHHHERLABK-CCEZHUSRSA-N
MW209.38 g/mol
LogP4.82
Rot. Bonds9

About 4-ethyl-10-methylundec-1-en-3-imine

4-ethyl-10-methylundec-1-en-3-imine (PubChem CID 123243555) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 4-ethyl-10-methylundec-1-en-3-imine.

Molecular Properties

Compound Name4-ethyl-10-methylundec-1-en-3-imine
PubChem CID123243555
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name4-ethyl-10-methylundec-1-en-3-imine
SMILES[H]/N=C(\C=C)C(CC)CCCCCC(C)C
InChIInChI=1S/C14H27N/c1-5-13(14(15)6-2)11-9-7-8-10-12(3)4/h6,12-13,15H,2,5,7-11H2,1,3-4H3/b15-14+
InChIKeyVMGLYHHHERLABK-CCEZHUSRSA-N
XLogP4.82
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.82
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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Related Compounds

(3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine
CID 139423709
1-Cyclohexyl-imino-2-butene
CID 129765474
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
(2S)-1-cyclohex-3-en-1-yl-2-methylbutan-1-imine
CID 89058429
5-(2-Ethenylcyclopropyl)pent-1-en-3-imine
CID 90754586
3-(2-Methylprop-2-enyl)-4-propyloctan-2-imine
CID 90894242
2,5-Dimethylhept-1-en-3-imine
CID 91222633
4-Ethylcyclohept-2-en-1-imine
CID 123193620
4-Methylhept-6-en-3-imine
CID 123204332
6-Ethyl-4,7-dimethyloct-7-en-2-imine
CID 123222470
(2Z)-5-methylcyclooct-2-en-1-imine
CID 123260294
4,6,7-Trimethyldec-8-en-5-imine
CID 123296608

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-10-methylundec-1-en-3-imine?
The IUPAC name of 4-ethyl-10-methylundec-1-en-3-imine (CID 123243555) is 4-ethyl-10-methylundec-1-en-3-imine.
What is the SMILES notation for 4-ethyl-10-methylundec-1-en-3-imine?
The canonical SMILES for 4-ethyl-10-methylundec-1-en-3-imine is [H]/N=C(\C=C)C(CC)CCCCCC(C)C.
What is the InChIKey of 4-ethyl-10-methylundec-1-en-3-imine?
The InChIKey is VMGLYHHHERLABK-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H27N/c1-5-13(14(15)6-2)11-9-7-8-10-12(3)4/h6,12-13,15H,2,5,7-11H2,1,3-4H3/b15-14+.
What are the key properties of 4-ethyl-10-methylundec-1-en-3-imine?
4-ethyl-10-methylundec-1-en-3-imine has a molecular weight of 209.38 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-10-methylundec-1-en-3-imine is sourced from PubChem (CID 123243555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).