ethane;3-methanimidoyl-4-methylpyridin-2-amine;molecular hydrogen

C9H17N3 — CID 143716531

IUPACethane;3-methanimidoyl-4-methylpyridin-2-amine;molecular hydrogen
SMILESCC.[H]/N=C/c1c(C)ccnc1N.[H][H]
InChIInChI=1S/C7H9N3.C2H6.H2/c1-5-2-3-10-7(9)6(5)4-8;1-2;/h2-4,8H,1H3,(H2,9,10);1-2H3;1H/b8-4+;;
InChIKeyKPCLOXFKVCGVOI-ZDTICIBISA-N
MW167.26 g/mol
LogP2.24
Rot. Bonds1

About ethane;3-methanimidoyl-4-methylpyridin-2-amine;molecular hydrogen

ethane;3-methanimidoyl-4-methylpyridin-2-amine;molecular hydrogen (PubChem CID 143716531) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is ethane;3-methanimidoyl-4-methylpyridin-2-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;3-methanimidoyl-4-methylpyridin-2-amine;molecular hydrogen
PubChem CID143716531
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Nameethane;3-methanimidoyl-4-methylpyridin-2-amine;molecular hydrogen
SMILESCC.[H]/N=C/c1c(C)ccnc1N.[H][H]
InChIInChI=1S/C7H9N3.C2H6.H2/c1-5-2-3-10-7(9)6(5)4-8;1-2;/h2-4,8H,1H3,(H2,9,10);1-2H3;1H/b8-4+;;
InChIKeyKPCLOXFKVCGVOI-ZDTICIBISA-N
XLogP2.24
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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;3-methanimidoyl-4-methylpyridin-2-amine;molecular hydrogen?
The IUPAC name of ethane;3-methanimidoyl-4-methylpyridin-2-amine;molecular hydrogen (CID 143716531) is ethane;3-methanimidoyl-4-methylpyridin-2-amine;molecular hydrogen.
What is the SMILES notation for ethane;3-methanimidoyl-4-methylpyridin-2-amine;molecular hydrogen?
The canonical SMILES for ethane;3-methanimidoyl-4-methylpyridin-2-amine;molecular hydrogen is CC.[H]/N=C/c1c(C)ccnc1N.[H][H].
What is the InChIKey of ethane;3-methanimidoyl-4-methylpyridin-2-amine;molecular hydrogen?
The InChIKey is KPCLOXFKVCGVOI-ZDTICIBISA-N. The full InChI is InChI=1S/C7H9N3.C2H6.H2/c1-5-2-3-10-7(9)6(5)4-8;1-2;/h2-4,8H,1H3,(H2,9,10);1-2H3;1H/b8-4+;;.
What are the key properties of ethane;3-methanimidoyl-4-methylpyridin-2-amine;molecular hydrogen?
ethane;3-methanimidoyl-4-methylpyridin-2-amine;molecular hydrogen has a molecular weight of 167.26 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methanimidoyl-4-methylpyridin-2-amine;molecular hydrogen is sourced from PubChem (CID 143716531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).