(7Z)-7-ethylidene-2,3,8-trimethyldecane-1,6-diimine

C15H28N2 — CID 90917683

IUPAC(7Z)-7-ethylidene-2,3,8-trimethyldecane-1,6-diimine
SMILES[H]/N=C/C(C)C(C)CCC(=N\[H])/C(=C\C)C(C)CC
InChIInChI=1S/C15H28N2/c1-6-11(3)14(7-2)15(17)9-8-12(4)13(5)10-16/h7,10-13,16-17H,6,8-9H2,1-5H3/b14-7-,16-10+,17-15+
InChIKeyULDRAMOZTMWDIG-HBQSHPITSA-N
MW236.40 g/mol
LogP4.70
Rot. Bonds8

About (7Z)-7-ethylidene-2,3,8-trimethyldecane-1,6-diimine

(7Z)-7-ethylidene-2,3,8-trimethyldecane-1,6-diimine (PubChem CID 90917683) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (7Z)-7-ethylidene-2,3,8-trimethyldecane-1,6-diimine.

Molecular Properties

Compound Name(7Z)-7-ethylidene-2,3,8-trimethyldecane-1,6-diimine
PubChem CID90917683
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(7Z)-7-ethylidene-2,3,8-trimethyldecane-1,6-diimine
SMILES[H]/N=C/C(C)C(C)CCC(=N\[H])/C(=C\C)C(C)CC
InChIInChI=1S/C15H28N2/c1-6-11(3)14(7-2)15(17)9-8-12(4)13(5)10-16/h7,10-13,16-17H,6,8-9H2,1-5H3/b14-7-,16-10+,17-15+
InChIKeyULDRAMOZTMWDIG-HBQSHPITSA-N
XLogP4.70
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 53951183
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
(Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine
CID 88583469
2-(3,5-Dimethylcyclohex-3-en-1-yl)ethanimine
CID 89244763
2-(3,5-Dimethylcyclohex-3-en-1-yl)propan-1-imine
CID 89246740
(Z)-4-methyl-2-propylhex-4-en-1-imine
CID 89697919
(2,4-Dimethylcyclohex-3-en-1-yl)methanimine
CID 89899175
5-Ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine
CID 91205691
2-[(1Z)-4-ethyl-8-methylcycloocta-1,3-dien-1-yl]ethanimine
CID 91224376
5-Ethyl-2-methanimidoyl-6-methylcyclohex-2-en-1-imine
CID 91372737
1-N-butan-2-yl-6-ethyl-4,5-dimethylcyclohept-3-ene-1,2-diimine
CID 91394984

Frequently Asked Questions

What is the IUPAC name of (7Z)-7-ethylidene-2,3,8-trimethyldecane-1,6-diimine?
The IUPAC name of (7Z)-7-ethylidene-2,3,8-trimethyldecane-1,6-diimine (CID 90917683) is (7Z)-7-ethylidene-2,3,8-trimethyldecane-1,6-diimine.
What is the SMILES notation for (7Z)-7-ethylidene-2,3,8-trimethyldecane-1,6-diimine?
The canonical SMILES for (7Z)-7-ethylidene-2,3,8-trimethyldecane-1,6-diimine is [H]/N=C/C(C)C(C)CCC(=N\[H])/C(=C\C)C(C)CC.
What is the InChIKey of (7Z)-7-ethylidene-2,3,8-trimethyldecane-1,6-diimine?
The InChIKey is ULDRAMOZTMWDIG-HBQSHPITSA-N. The full InChI is InChI=1S/C15H28N2/c1-6-11(3)14(7-2)15(17)9-8-12(4)13(5)10-16/h7,10-13,16-17H,6,8-9H2,1-5H3/b14-7-,16-10+,17-15+.
What are the key properties of (7Z)-7-ethylidene-2,3,8-trimethyldecane-1,6-diimine?
(7Z)-7-ethylidene-2,3,8-trimethyldecane-1,6-diimine has a molecular weight of 236.40 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-ethylidene-2,3,8-trimethyldecane-1,6-diimine is sourced from PubChem (CID 90917683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).