ethane;N-methyl-6-propan-2-yl-2-prop-1-en-2-ylpyridazin-3-imine

C13H23N3 — CID 144888664

IUPACethane;N-methyl-6-propan-2-yl-2-prop-1-en-2-ylpyridazin-3-imine
SMILESC=C(C)n1nc(C(C)C)cc/c1=N\C.CC
InChIInChI=1S/C11H17N3.C2H6/c1-8(2)10-6-7-11(12-5)14(13-10)9(3)4;1-2/h6-8H,3H2,1-2,4-5H3;1-2H3/b12-11+;
InChIKeyKWOCWYIYDAPYLQ-CALJPSDSSA-N
MW221.35 g/mol
LogP3.05
Rot. Bonds2

About ethane;N-methyl-6-propan-2-yl-2-prop-1-en-2-ylpyridazin-3-imine

ethane;N-methyl-6-propan-2-yl-2-prop-1-en-2-ylpyridazin-3-imine (PubChem CID 144888664) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is ethane;N-methyl-6-propan-2-yl-2-prop-1-en-2-ylpyridazin-3-imine.

Molecular Properties

Compound Nameethane;N-methyl-6-propan-2-yl-2-prop-1-en-2-ylpyridazin-3-imine
PubChem CID144888664
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Nameethane;N-methyl-6-propan-2-yl-2-prop-1-en-2-ylpyridazin-3-imine
SMILESC=C(C)n1nc(C(C)C)cc/c1=N\C.CC
InChIInChI=1S/C11H17N3.C2H6/c1-8(2)10-6-7-11(12-5)14(13-10)9(3)4;1-2/h6-8H,3H2,1-2,4-5H3;1-2H3/b12-11+;
InChIKeyKWOCWYIYDAPYLQ-CALJPSDSSA-N
XLogP3.05
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-6-propan-2-yl-2-prop-1-en-2-ylpyridazin-3-imine?
The IUPAC name of ethane;N-methyl-6-propan-2-yl-2-prop-1-en-2-ylpyridazin-3-imine (CID 144888664) is ethane;N-methyl-6-propan-2-yl-2-prop-1-en-2-ylpyridazin-3-imine.
What is the SMILES notation for ethane;N-methyl-6-propan-2-yl-2-prop-1-en-2-ylpyridazin-3-imine?
The canonical SMILES for ethane;N-methyl-6-propan-2-yl-2-prop-1-en-2-ylpyridazin-3-imine is C=C(C)n1nc(C(C)C)cc/c1=N\C.CC.
What is the InChIKey of ethane;N-methyl-6-propan-2-yl-2-prop-1-en-2-ylpyridazin-3-imine?
The InChIKey is KWOCWYIYDAPYLQ-CALJPSDSSA-N. The full InChI is InChI=1S/C11H17N3.C2H6/c1-8(2)10-6-7-11(12-5)14(13-10)9(3)4;1-2/h6-8H,3H2,1-2,4-5H3;1-2H3/b12-11+;.
What are the key properties of ethane;N-methyl-6-propan-2-yl-2-prop-1-en-2-ylpyridazin-3-imine?
ethane;N-methyl-6-propan-2-yl-2-prop-1-en-2-ylpyridazin-3-imine has a molecular weight of 221.35 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-6-propan-2-yl-2-prop-1-en-2-ylpyridazin-3-imine is sourced from PubChem (CID 144888664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).