1-ethyl-1-[(3E,4Z)-4-methyl-3-prop-2-enylidenehepta-4,6-dien-2-yl]hydrazine

C13H22N2 — CID 126712198

IUPAC1-ethyl-1-[(3E,4Z)-4-methyl-3-prop-2-enylidenehepta-4,6-dien-2-yl]hydrazine
SMILESC=C/C=C(C)\C(=C/C=C)C(C)N(N)CC
InChIInChI=1S/C13H22N2/c1-6-9-11(4)13(10-7-2)12(5)15(14)8-3/h6-7,9-10,12H,1-2,8,14H2,3-5H3/b11-9-,13-10+
InChIKeyNKMFIDDEVNCIAL-SZJZEYKYSA-N
MW206.33 g/mol
LogP2.82
Rot. Bonds6

About 1-ethyl-1-[(3E,4Z)-4-methyl-3-prop-2-enylidenehepta-4,6-dien-2-yl]hydrazine

1-ethyl-1-[(3E,4Z)-4-methyl-3-prop-2-enylidenehepta-4,6-dien-2-yl]hydrazine (PubChem CID 126712198) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-ethyl-1-[(3E,4Z)-4-methyl-3-prop-2-enylidenehepta-4,6-dien-2-yl]hydrazine.

Molecular Properties

Compound Name1-ethyl-1-[(3E,4Z)-4-methyl-3-prop-2-enylidenehepta-4,6-dien-2-yl]hydrazine
PubChem CID126712198
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-ethyl-1-[(3E,4Z)-4-methyl-3-prop-2-enylidenehepta-4,6-dien-2-yl]hydrazine
SMILESC=C/C=C(C)\C(=C/C=C)C(C)N(N)CC
InChIInChI=1S/C13H22N2/c1-6-9-11(4)13(10-7-2)12(5)15(14)8-3/h6-7,9-10,12H,1-2,8,14H2,3-5H3/b11-9-,13-10+
InChIKeyNKMFIDDEVNCIAL-SZJZEYKYSA-N
XLogP2.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-ethyl-1-[(3E,4Z)-4-methyl-3-prop-2-enylidenehepta-4,6-dien-2-yl]hydrazine?
The IUPAC name of 1-ethyl-1-[(3E,4Z)-4-methyl-3-prop-2-enylidenehepta-4,6-dien-2-yl]hydrazine (CID 126712198) is 1-ethyl-1-[(3E,4Z)-4-methyl-3-prop-2-enylidenehepta-4,6-dien-2-yl]hydrazine.
What is the SMILES notation for 1-ethyl-1-[(3E,4Z)-4-methyl-3-prop-2-enylidenehepta-4,6-dien-2-yl]hydrazine?
The canonical SMILES for 1-ethyl-1-[(3E,4Z)-4-methyl-3-prop-2-enylidenehepta-4,6-dien-2-yl]hydrazine is C=C/C=C(C)\C(=C/C=C)C(C)N(N)CC.
What is the InChIKey of 1-ethyl-1-[(3E,4Z)-4-methyl-3-prop-2-enylidenehepta-4,6-dien-2-yl]hydrazine?
The InChIKey is NKMFIDDEVNCIAL-SZJZEYKYSA-N. The full InChI is InChI=1S/C13H22N2/c1-6-9-11(4)13(10-7-2)12(5)15(14)8-3/h6-7,9-10,12H,1-2,8,14H2,3-5H3/b11-9-,13-10+.
What are the key properties of 1-ethyl-1-[(3E,4Z)-4-methyl-3-prop-2-enylidenehepta-4,6-dien-2-yl]hydrazine?
1-ethyl-1-[(3E,4Z)-4-methyl-3-prop-2-enylidenehepta-4,6-dien-2-yl]hydrazine has a molecular weight of 206.33 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(3E,4Z)-4-methyl-3-prop-2-enylidenehepta-4,6-dien-2-yl]hydrazine is sourced from PubChem (CID 126712198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).