1,1-dimethyl-2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]hydrazine

C13H22N2 — CID 143325340

IUPAC1,1-dimethyl-2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]hydrazine
SMILESC=C(C)/C(=C\C=C/C)N(/C=C\C)N(C)C
InChIInChI=1S/C13H22N2/c1-7-9-10-13(12(3)4)15(11-8-2)14(5)6/h7-11H,3H2,1-2,4-6H3/b9-7-,11-8-,13-10+
InChIKeyFLIKAYMIASVTKX-JSTMGVOJSA-N
MW206.33 g/mol
LogP3.33
Rot. Bonds5

About 1,1-dimethyl-2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]hydrazine

1,1-dimethyl-2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]hydrazine (PubChem CID 143325340) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1,1-dimethyl-2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]hydrazine.

Molecular Properties

Compound Name1,1-dimethyl-2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]hydrazine
PubChem CID143325340
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1,1-dimethyl-2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]hydrazine
SMILESC=C(C)/C(=C\C=C/C)N(/C=C\C)N(C)C
InChIInChI=1S/C13H22N2/c1-7-9-10-13(12(3)4)15(11-8-2)14(5)6/h7-11H,3H2,1-2,4-6H3/b9-7-,11-8-,13-10+
InChIKeyFLIKAYMIASVTKX-JSTMGVOJSA-N
XLogP3.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]hydrazine?
The IUPAC name of 1,1-dimethyl-2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]hydrazine (CID 143325340) is 1,1-dimethyl-2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]hydrazine.
What is the SMILES notation for 1,1-dimethyl-2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]hydrazine?
The canonical SMILES for 1,1-dimethyl-2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]hydrazine is C=C(C)/C(=C\C=C/C)N(/C=C\C)N(C)C.
What is the InChIKey of 1,1-dimethyl-2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]hydrazine?
The InChIKey is FLIKAYMIASVTKX-JSTMGVOJSA-N. The full InChI is InChI=1S/C13H22N2/c1-7-9-10-13(12(3)4)15(11-8-2)14(5)6/h7-11H,3H2,1-2,4-6H3/b9-7-,11-8-,13-10+.
What are the key properties of 1,1-dimethyl-2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]hydrazine?
1,1-dimethyl-2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]hydrazine has a molecular weight of 206.33 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]hydrazine is sourced from PubChem (CID 143325340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).