3-ethyl-8,9-dimethyl-3,6-dipropyldec-8-en-2-imine

C20H39N — CID 123276533

IUPAC3-ethyl-8,9-dimethyl-3,6-dipropyldec-8-en-2-imine
SMILES[H]/N=C(\C)C(CC)(CCC)CCC(CCC)CC(C)=C(C)C
InChIInChI=1S/C20H39N/c1-8-11-19(15-17(6)16(4)5)12-14-20(10-3,13-9-2)18(7)21/h19,21H,8-15H2,1-7H3/b21-18+
InChIKeyBZIPDPZRXSHESY-DYTRJAOYSA-N
MW293.54 g/mol
LogP7.17
Rot. Bonds11

About 3-ethyl-8,9-dimethyl-3,6-dipropyldec-8-en-2-imine

3-ethyl-8,9-dimethyl-3,6-dipropyldec-8-en-2-imine (PubChem CID 123276533) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is 3-ethyl-8,9-dimethyl-3,6-dipropyldec-8-en-2-imine.

Molecular Properties

Compound Name3-ethyl-8,9-dimethyl-3,6-dipropyldec-8-en-2-imine
PubChem CID123276533
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC Name3-ethyl-8,9-dimethyl-3,6-dipropyldec-8-en-2-imine
SMILES[H]/N=C(\C)C(CC)(CCC)CCC(CCC)CC(C)=C(C)C
InChIInChI=1S/C20H39N/c1-8-11-19(15-17(6)16(4)5)12-14-20(10-3,13-9-2)18(7)21/h19,21H,8-15H2,1-7H3/b21-18+
InChIKeyBZIPDPZRXSHESY-DYTRJAOYSA-N
XLogP7.17
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

19,21-Dimethyl-19,21-bis(2-methylpropyl)nonatriaconta-9,30-dien-20-imine
CID 54130774
(9Z,30Z)-19,21-dimethyl-19,21-bis(2-methylpropyl)nonatriaconta-9,30-dien-20-imine
CID 88658812
4-(2-Methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine
CID 89084617
4-(2,6,6-Trimethylcyclohexen-1-yl)butan-2-imine
CID 89084634
3,4-Dimethylnonadec-4-en-2-imine
CID 90701374
4-Ethyl-4,8-dimethyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclobutylidene]nonan-5-imine
CID 90813962
2,2,3,4,5-Pentamethylcyclopent-3-en-1-imine
CID 90908321
6-Tert-butyl-4,5,7-trimethylnon-6-en-3-imine
CID 91135805
3,7,8,10-Tetramethyldodec-9-en-4-imine
CID 91500026
(3R)-3,5,5-trimethyl-1-(2-methylcycloprop-2-en-1-yl)hexan-2-imine
CID 121480625
3,9,10,13-Tetramethyl-6-methylidene-8-(5,5,6-trimethylheptan-2-yl)pentadeca-2,13-dien-7-imine
CID 123216111
7-Ethyl-3,5,5-trimethylcyclohept-2-en-1-imine
CID 123236420

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8,9-dimethyl-3,6-dipropyldec-8-en-2-imine?
The IUPAC name of 3-ethyl-8,9-dimethyl-3,6-dipropyldec-8-en-2-imine (CID 123276533) is 3-ethyl-8,9-dimethyl-3,6-dipropyldec-8-en-2-imine.
What is the SMILES notation for 3-ethyl-8,9-dimethyl-3,6-dipropyldec-8-en-2-imine?
The canonical SMILES for 3-ethyl-8,9-dimethyl-3,6-dipropyldec-8-en-2-imine is [H]/N=C(\C)C(CC)(CCC)CCC(CCC)CC(C)=C(C)C.
What is the InChIKey of 3-ethyl-8,9-dimethyl-3,6-dipropyldec-8-en-2-imine?
The InChIKey is BZIPDPZRXSHESY-DYTRJAOYSA-N. The full InChI is InChI=1S/C20H39N/c1-8-11-19(15-17(6)16(4)5)12-14-20(10-3,13-9-2)18(7)21/h19,21H,8-15H2,1-7H3/b21-18+.
What are the key properties of 3-ethyl-8,9-dimethyl-3,6-dipropyldec-8-en-2-imine?
3-ethyl-8,9-dimethyl-3,6-dipropyldec-8-en-2-imine has a molecular weight of 293.54 g/mol, XLogP of 7.17, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8,9-dimethyl-3,6-dipropyldec-8-en-2-imine is sourced from PubChem (CID 123276533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).