1,2-dimethyl-1-[(3E)-4-(4-methylcyclohexa-1,3-dien-1-yl)buta-1,3-dien-2-yl]hydrazine

C13H20N2 — CID 134288030

IUPAC1,2-dimethyl-1-[(3E)-4-(4-methylcyclohexa-1,3-dien-1-yl)buta-1,3-dien-2-yl]hydrazine
SMILESC=C(/C=C/C1=CC=C(C)CC1)N(C)NC
InChIInChI=1S/C13H20N2/c1-11-5-8-13(9-6-11)10-7-12(2)15(4)14-3/h5,7-8,10,14H,2,6,9H2,1,3-4H3/b10-7+
InChIKeyVTYXKMLJKLJSOD-JXMROGBWSA-N
MW204.32 g/mol
LogP2.79
Rot. Bonds4

About 1,2-dimethyl-1-[(3E)-4-(4-methylcyclohexa-1,3-dien-1-yl)buta-1,3-dien-2-yl]hydrazine

1,2-dimethyl-1-[(3E)-4-(4-methylcyclohexa-1,3-dien-1-yl)buta-1,3-dien-2-yl]hydrazine (PubChem CID 134288030) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1,2-dimethyl-1-[(3E)-4-(4-methylcyclohexa-1,3-dien-1-yl)buta-1,3-dien-2-yl]hydrazine.

Molecular Properties

Compound Name1,2-dimethyl-1-[(3E)-4-(4-methylcyclohexa-1,3-dien-1-yl)buta-1,3-dien-2-yl]hydrazine
PubChem CID134288030
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1,2-dimethyl-1-[(3E)-4-(4-methylcyclohexa-1,3-dien-1-yl)buta-1,3-dien-2-yl]hydrazine
SMILESC=C(/C=C/C1=CC=C(C)CC1)N(C)NC
InChIInChI=1S/C13H20N2/c1-11-5-8-13(9-6-11)10-7-12(2)15(4)14-3/h5,7-8,10,14H,2,6,9H2,1,3-4H3/b10-7+
InChIKeyVTYXKMLJKLJSOD-JXMROGBWSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.79
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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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-[(3E)-4-(4-methylcyclohexa-1,3-dien-1-yl)buta-1,3-dien-2-yl]hydrazine?
The IUPAC name of 1,2-dimethyl-1-[(3E)-4-(4-methylcyclohexa-1,3-dien-1-yl)buta-1,3-dien-2-yl]hydrazine (CID 134288030) is 1,2-dimethyl-1-[(3E)-4-(4-methylcyclohexa-1,3-dien-1-yl)buta-1,3-dien-2-yl]hydrazine.
What is the SMILES notation for 1,2-dimethyl-1-[(3E)-4-(4-methylcyclohexa-1,3-dien-1-yl)buta-1,3-dien-2-yl]hydrazine?
The canonical SMILES for 1,2-dimethyl-1-[(3E)-4-(4-methylcyclohexa-1,3-dien-1-yl)buta-1,3-dien-2-yl]hydrazine is C=C(/C=C/C1=CC=C(C)CC1)N(C)NC.
What is the InChIKey of 1,2-dimethyl-1-[(3E)-4-(4-methylcyclohexa-1,3-dien-1-yl)buta-1,3-dien-2-yl]hydrazine?
The InChIKey is VTYXKMLJKLJSOD-JXMROGBWSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-5-8-13(9-6-11)10-7-12(2)15(4)14-3/h5,7-8,10,14H,2,6,9H2,1,3-4H3/b10-7+.
What are the key properties of 1,2-dimethyl-1-[(3E)-4-(4-methylcyclohexa-1,3-dien-1-yl)buta-1,3-dien-2-yl]hydrazine?
1,2-dimethyl-1-[(3E)-4-(4-methylcyclohexa-1,3-dien-1-yl)buta-1,3-dien-2-yl]hydrazine has a molecular weight of 204.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-[(3E)-4-(4-methylcyclohexa-1,3-dien-1-yl)buta-1,3-dien-2-yl]hydrazine is sourced from PubChem (CID 134288030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).