ethane;(2E)-N-methyl-2-(4-methylidene-1H-pyrazol-5-ylidene)ethanimine

C11H21N3 — CID 167522266

IUPACethane;(2E)-N-methyl-2-(4-methylidene-1H-pyrazol-5-ylidene)ethanimine
SMILESC=c1cn[nH]/c1=C/C=N/C.CC.CC
InChIInChI=1S/C7H9N3.2C2H6/c1-6-5-9-10-7(6)3-4-8-2;2*1-2/h3-5,10H,1H2,2H3;2*1-2H3/b7-3+,8-4+;;
InChIKeyGAXAHKNYKUSWKR-SAVPNDSOSA-N
MW195.31 g/mol
LogP1.35
Rot. Bonds1

About ethane;(2E)-N-methyl-2-(4-methylidene-1H-pyrazol-5-ylidene)ethanimine

ethane;(2E)-N-methyl-2-(4-methylidene-1H-pyrazol-5-ylidene)ethanimine (PubChem CID 167522266) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is ethane;(2E)-N-methyl-2-(4-methylidene-1H-pyrazol-5-ylidene)ethanimine.

Molecular Properties

Compound Nameethane;(2E)-N-methyl-2-(4-methylidene-1H-pyrazol-5-ylidene)ethanimine
PubChem CID167522266
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Nameethane;(2E)-N-methyl-2-(4-methylidene-1H-pyrazol-5-ylidene)ethanimine
SMILESC=c1cn[nH]/c1=C/C=N/C.CC.CC
InChIInChI=1S/C7H9N3.2C2H6/c1-6-5-9-10-7(6)3-4-8-2;2*1-2/h3-5,10H,1H2,2H3;2*1-2H3/b7-3+,8-4+;;
InChIKeyGAXAHKNYKUSWKR-SAVPNDSOSA-N
XLogP1.35
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-N-methyl-2-(4-methylidene-1H-pyrazol-5-ylidene)ethanimine?
The IUPAC name of ethane;(2E)-N-methyl-2-(4-methylidene-1H-pyrazol-5-ylidene)ethanimine (CID 167522266) is ethane;(2E)-N-methyl-2-(4-methylidene-1H-pyrazol-5-ylidene)ethanimine.
What is the SMILES notation for ethane;(2E)-N-methyl-2-(4-methylidene-1H-pyrazol-5-ylidene)ethanimine?
The canonical SMILES for ethane;(2E)-N-methyl-2-(4-methylidene-1H-pyrazol-5-ylidene)ethanimine is C=c1cn[nH]/c1=C/C=N/C.CC.CC.
What is the InChIKey of ethane;(2E)-N-methyl-2-(4-methylidene-1H-pyrazol-5-ylidene)ethanimine?
The InChIKey is GAXAHKNYKUSWKR-SAVPNDSOSA-N. The full InChI is InChI=1S/C7H9N3.2C2H6/c1-6-5-9-10-7(6)3-4-8-2;2*1-2/h3-5,10H,1H2,2H3;2*1-2H3/b7-3+,8-4+;;.
What are the key properties of ethane;(2E)-N-methyl-2-(4-methylidene-1H-pyrazol-5-ylidene)ethanimine?
ethane;(2E)-N-methyl-2-(4-methylidene-1H-pyrazol-5-ylidene)ethanimine has a molecular weight of 195.31 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-N-methyl-2-(4-methylidene-1H-pyrazol-5-ylidene)ethanimine is sourced from PubChem (CID 167522266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).