1-[(2R,3Z)-5-[(1S)-cyclohex-2-en-1-yl]hexa-3,5-dien-2-yl]-1-methylhydrazine

C13H22N2 — CID 89320699

IUPAC1-[(2R,3Z)-5-[(1S)-cyclohex-2-en-1-yl]hexa-3,5-dien-2-yl]-1-methylhydrazine
SMILESC=C(/C=C\[C@@H](C)N(C)N)[C@@H]1C=CCCC1
InChIInChI=1S/C13H22N2/c1-11(9-10-12(2)15(3)14)13-7-5-4-6-8-13/h5,7,9-10,12-13H,1,4,6,8,14H2,2-3H3/b10-9-/t12-,13-/m1/s1
InChIKeyZAKAVHOABNZFDN-CYZFJHGLSA-N
MW206.33 g/mol
LogP2.65
Rot. Bonds4

About 1-[(2R,3Z)-5-[(1S)-cyclohex-2-en-1-yl]hexa-3,5-dien-2-yl]-1-methylhydrazine

1-[(2R,3Z)-5-[(1S)-cyclohex-2-en-1-yl]hexa-3,5-dien-2-yl]-1-methylhydrazine (PubChem CID 89320699) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-[(2R,3Z)-5-[(1S)-cyclohex-2-en-1-yl]hexa-3,5-dien-2-yl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[(2R,3Z)-5-[(1S)-cyclohex-2-en-1-yl]hexa-3,5-dien-2-yl]-1-methylhydrazine
PubChem CID89320699
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-[(2R,3Z)-5-[(1S)-cyclohex-2-en-1-yl]hexa-3,5-dien-2-yl]-1-methylhydrazine
SMILESC=C(/C=C\[C@@H](C)N(C)N)[C@@H]1C=CCCC1
InChIInChI=1S/C13H22N2/c1-11(9-10-12(2)15(3)14)13-7-5-4-6-8-13/h5,7,9-10,12-13H,1,4,6,8,14H2,2-3H3/b10-9-/t12-,13-/m1/s1
InChIKeyZAKAVHOABNZFDN-CYZFJHGLSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[(2R,3Z)-5-[(1S)-cyclohex-2-en-1-yl]hexa-3,5-dien-2-yl]-1-methylhydrazine?
The IUPAC name of 1-[(2R,3Z)-5-[(1S)-cyclohex-2-en-1-yl]hexa-3,5-dien-2-yl]-1-methylhydrazine (CID 89320699) is 1-[(2R,3Z)-5-[(1S)-cyclohex-2-en-1-yl]hexa-3,5-dien-2-yl]-1-methylhydrazine.
What is the SMILES notation for 1-[(2R,3Z)-5-[(1S)-cyclohex-2-en-1-yl]hexa-3,5-dien-2-yl]-1-methylhydrazine?
The canonical SMILES for 1-[(2R,3Z)-5-[(1S)-cyclohex-2-en-1-yl]hexa-3,5-dien-2-yl]-1-methylhydrazine is C=C(/C=C\[C@@H](C)N(C)N)[C@@H]1C=CCCC1.
What is the InChIKey of 1-[(2R,3Z)-5-[(1S)-cyclohex-2-en-1-yl]hexa-3,5-dien-2-yl]-1-methylhydrazine?
The InChIKey is ZAKAVHOABNZFDN-CYZFJHGLSA-N. The full InChI is InChI=1S/C13H22N2/c1-11(9-10-12(2)15(3)14)13-7-5-4-6-8-13/h5,7,9-10,12-13H,1,4,6,8,14H2,2-3H3/b10-9-/t12-,13-/m1/s1.
What are the key properties of 1-[(2R,3Z)-5-[(1S)-cyclohex-2-en-1-yl]hexa-3,5-dien-2-yl]-1-methylhydrazine?
1-[(2R,3Z)-5-[(1S)-cyclohex-2-en-1-yl]hexa-3,5-dien-2-yl]-1-methylhydrazine has a molecular weight of 206.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3Z)-5-[(1S)-cyclohex-2-en-1-yl]hexa-3,5-dien-2-yl]-1-methylhydrazine is sourced from PubChem (CID 89320699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).