2-ethylidene-6-methyl-N-(8-methyldecyl)heptan-1-imine

C21H41N — CID 123231495

IUPAC2-ethylidene-6-methyl-N-(8-methyldecyl)heptan-1-imine
SMILESCC=C(/C=N/CCCCCCCC(C)CC)CCCC(C)C
InChIInChI=1S/C21H41N/c1-6-20(5)15-11-9-8-10-12-17-22-18-21(7-2)16-13-14-19(3)4/h7,18-20H,6,8-17H2,1-5H3/b21-7?,22-18+
InChIKeyKCRFSIYDLRLFLP-MPBLPOTNSA-N
MW307.57 g/mol
LogP7.22
Rot. Bonds14

About 2-ethylidene-6-methyl-N-(8-methyldecyl)heptan-1-imine

2-ethylidene-6-methyl-N-(8-methyldecyl)heptan-1-imine (PubChem CID 123231495) has the molecular formula C21H41N and a molecular weight of 307.57 g/mol. Its IUPAC name is 2-ethylidene-6-methyl-N-(8-methyldecyl)heptan-1-imine.

Molecular Properties

Compound Name2-ethylidene-6-methyl-N-(8-methyldecyl)heptan-1-imine
PubChem CID123231495
Molecular FormulaC21H41N
Molecular Weight307.57 g/mol
Exact Mass307.32
IUPAC Name2-ethylidene-6-methyl-N-(8-methyldecyl)heptan-1-imine
SMILESCC=C(/C=N/CCCCCCCC(C)CC)CCCC(C)C
InChIInChI=1S/C21H41N/c1-6-20(5)15-11-9-8-10-12-17-22-18-21(7-2)16-13-14-19(3)4/h7,18-20H,6,8-17H2,1-5H3/b21-7?,22-18+
InChIKeyKCRFSIYDLRLFLP-MPBLPOTNSA-N
XLogP7.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.57
LogP ≤ 57.22
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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Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-6-methyl-N-(8-methyldecyl)heptan-1-imine?
The IUPAC name of 2-ethylidene-6-methyl-N-(8-methyldecyl)heptan-1-imine (CID 123231495) is 2-ethylidene-6-methyl-N-(8-methyldecyl)heptan-1-imine.
What is the SMILES notation for 2-ethylidene-6-methyl-N-(8-methyldecyl)heptan-1-imine?
The canonical SMILES for 2-ethylidene-6-methyl-N-(8-methyldecyl)heptan-1-imine is CC=C(/C=N/CCCCCCCC(C)CC)CCCC(C)C.
What is the InChIKey of 2-ethylidene-6-methyl-N-(8-methyldecyl)heptan-1-imine?
The InChIKey is KCRFSIYDLRLFLP-MPBLPOTNSA-N. The full InChI is InChI=1S/C21H41N/c1-6-20(5)15-11-9-8-10-12-17-22-18-21(7-2)16-13-14-19(3)4/h7,18-20H,6,8-17H2,1-5H3/b21-7?,22-18+.
What are the key properties of 2-ethylidene-6-methyl-N-(8-methyldecyl)heptan-1-imine?
2-ethylidene-6-methyl-N-(8-methyldecyl)heptan-1-imine has a molecular weight of 307.57 g/mol, XLogP of 7.22, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-6-methyl-N-(8-methyldecyl)heptan-1-imine is sourced from PubChem (CID 123231495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).