1-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-1-(oxan-2-yl)hydrazine

C12H22N2O — CID 155203133

IUPAC1-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-1-(oxan-2-yl)hydrazine
SMILESC=C(/C=C\CC)N(NC)C1CCCCO1
InChIInChI=1S/C12H22N2O/c1-4-5-8-11(2)14(13-3)12-9-6-7-10-15-12/h5,8,12-13H,2,4,6-7,9-10H2,1,3H3/b8-5-
InChIKeyKKDZIZSOBGWKGB-YVMONPNESA-N
MW210.32 g/mol
LogP2.43
Rot. Bonds5

About 1-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-1-(oxan-2-yl)hydrazine

1-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-1-(oxan-2-yl)hydrazine (PubChem CID 155203133) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-1-(oxan-2-yl)hydrazine.

Molecular Properties

Compound Name1-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-1-(oxan-2-yl)hydrazine
PubChem CID155203133
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-1-(oxan-2-yl)hydrazine
SMILESC=C(/C=C\CC)N(NC)C1CCCCO1
InChIInChI=1S/C12H22N2O/c1-4-5-8-11(2)14(13-3)12-9-6-7-10-15-12/h5,8,12-13H,2,4,6-7,9-10H2,1,3H3/b8-5-
InChIKeyKKDZIZSOBGWKGB-YVMONPNESA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-1-(oxan-2-yl)hydrazine?
The IUPAC name of 1-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-1-(oxan-2-yl)hydrazine (CID 155203133) is 1-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-1-(oxan-2-yl)hydrazine.
What is the SMILES notation for 1-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-1-(oxan-2-yl)hydrazine?
The canonical SMILES for 1-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-1-(oxan-2-yl)hydrazine is C=C(/C=C\CC)N(NC)C1CCCCO1.
What is the InChIKey of 1-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-1-(oxan-2-yl)hydrazine?
The InChIKey is KKDZIZSOBGWKGB-YVMONPNESA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-5-8-11(2)14(13-3)12-9-6-7-10-15-12/h5,8,12-13H,2,4,6-7,9-10H2,1,3H3/b8-5-.
What are the key properties of 1-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-1-(oxan-2-yl)hydrazine?
1-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-1-(oxan-2-yl)hydrazine has a molecular weight of 210.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-1-(oxan-2-yl)hydrazine is sourced from PubChem (CID 155203133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).