2-(3,4-dimethylhepta-4,6-dienyl)-1,1-diethylhydrazine

C13H26N2 — CID 123196619

IUPAC2-(3,4-dimethylhepta-4,6-dienyl)-1,1-diethylhydrazine
SMILESC=CC=C(C)C(C)CCNN(CC)CC
InChIInChI=1S/C13H26N2/c1-6-9-12(4)13(5)10-11-14-15(7-2)8-3/h6,9,13-14H,1,7-8,10-11H2,2-5H3
InChIKeyDSBWEOOKASJHFU-UHFFFAOYSA-N
MW210.37 g/mol
LogP2.99
Rot. Bonds8

About 2-(3,4-dimethylhepta-4,6-dienyl)-1,1-diethylhydrazine

2-(3,4-dimethylhepta-4,6-dienyl)-1,1-diethylhydrazine (PubChem CID 123196619) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is 2-(3,4-dimethylhepta-4,6-dienyl)-1,1-diethylhydrazine.

Molecular Properties

Compound Name2-(3,4-dimethylhepta-4,6-dienyl)-1,1-diethylhydrazine
PubChem CID123196619
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC Name2-(3,4-dimethylhepta-4,6-dienyl)-1,1-diethylhydrazine
SMILESC=CC=C(C)C(C)CCNN(CC)CC
InChIInChI=1S/C13H26N2/c1-6-9-12(4)13(5)10-11-14-15(7-2)8-3/h6,9,13-14H,1,7-8,10-11H2,2-5H3
InChIKeyDSBWEOOKASJHFU-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-[(4Z,6E)-7-fluoroocta-2,4,6-trien-3-yl]-N-methylpiperidin-1-amine
CID 143466131
2-(2-Cyclopenta-1,3-dien-1-ylethyl)-1,1-dimethylhydrazine
CID 68162210
2-ethyl-1-methyl-1-[(5E)-octa-5,7-dienyl]hydrazine
CID 87095774
[(3S,4E,6Z)-3-(2-iodoethyl)-7-methylnona-4,6,8-trienyl]hydrazine
CID 89994160
(6-Methylcyclohexa-1,3-dien-1-yl)methylhydrazine
CID 118508895
3-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-propylpyrrolidin-1-amine
CID 126712242
1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E)-2-ethylidenepentyl]-2-[(2E)-2-propan-2-ylpenta-2,4-dienyl]hydrazine
CID 139542181
1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E)-2-ethylidenepentyl]-2-[(2E)-2-ethylpenta-2,4-dienyl]hydrazine
CID 139542240
2-(2-Cyclopenta-2,4-dien-1-ylethyl)-1,1-dimethylhydrazine
CID 141291454
2-(Cyclohexa-1,3-dien-1-ylmethyl)-1,1-dimethylhydrazine
CID 142113090
ethane;[(Z)-4-methylideneoct-5-enyl]hydrazine
CID 144282418
2-Ethyl-1-methyl-1-octa-5,7-dienylhydrazine
CID 154491863

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylhepta-4,6-dienyl)-1,1-diethylhydrazine?
The IUPAC name of 2-(3,4-dimethylhepta-4,6-dienyl)-1,1-diethylhydrazine (CID 123196619) is 2-(3,4-dimethylhepta-4,6-dienyl)-1,1-diethylhydrazine.
What is the SMILES notation for 2-(3,4-dimethylhepta-4,6-dienyl)-1,1-diethylhydrazine?
The canonical SMILES for 2-(3,4-dimethylhepta-4,6-dienyl)-1,1-diethylhydrazine is C=CC=C(C)C(C)CCNN(CC)CC.
What is the InChIKey of 2-(3,4-dimethylhepta-4,6-dienyl)-1,1-diethylhydrazine?
The InChIKey is DSBWEOOKASJHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-6-9-12(4)13(5)10-11-14-15(7-2)8-3/h6,9,13-14H,1,7-8,10-11H2,2-5H3.
What are the key properties of 2-(3,4-dimethylhepta-4,6-dienyl)-1,1-diethylhydrazine?
2-(3,4-dimethylhepta-4,6-dienyl)-1,1-diethylhydrazine has a molecular weight of 210.37 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylhepta-4,6-dienyl)-1,1-diethylhydrazine is sourced from PubChem (CID 123196619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).