ethane;2-methyl-1-(1-methylpiperidin-4-yl)guanidine

C10H24N4 — CID 144804925

IUPACethane;2-methyl-1-(1-methylpiperidin-4-yl)guanidine
SMILESC/N=C(\N)NC1CCN(C)CC1.CC
InChIInChI=1S/C8H18N4.C2H6/c1-10-8(9)11-7-3-5-12(2)6-4-7;1-2/h7H,3-6H2,1-2H3,(H3,9,10,11);1-2H3
InChIKeyTVIATKIQXFNBAA-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.64
Rot. Bonds1

About ethane;2-methyl-1-(1-methylpiperidin-4-yl)guanidine

ethane;2-methyl-1-(1-methylpiperidin-4-yl)guanidine (PubChem CID 144804925) has the molecular formula C10H24N4 and a molecular weight of 200.33 g/mol. Its IUPAC name is ethane;2-methyl-1-(1-methylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Nameethane;2-methyl-1-(1-methylpiperidin-4-yl)guanidine
PubChem CID144804925
Molecular FormulaC10H24N4
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC Nameethane;2-methyl-1-(1-methylpiperidin-4-yl)guanidine
SMILESC/N=C(\N)NC1CCN(C)CC1.CC
InChIInChI=1S/C8H18N4.C2H6/c1-10-8(9)11-7-3-5-12(2)6-4-7;1-2/h7H,3-6H2,1-2H3,(H3,9,10,11);1-2H3
InChIKeyTVIATKIQXFNBAA-UHFFFAOYSA-N
XLogP0.64
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-(1-methylpiperidin-4-yl)guanidine?
The IUPAC name of ethane;2-methyl-1-(1-methylpiperidin-4-yl)guanidine (CID 144804925) is ethane;2-methyl-1-(1-methylpiperidin-4-yl)guanidine.
What is the SMILES notation for ethane;2-methyl-1-(1-methylpiperidin-4-yl)guanidine?
The canonical SMILES for ethane;2-methyl-1-(1-methylpiperidin-4-yl)guanidine is C/N=C(\N)NC1CCN(C)CC1.CC.
What is the InChIKey of ethane;2-methyl-1-(1-methylpiperidin-4-yl)guanidine?
The InChIKey is TVIATKIQXFNBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4.C2H6/c1-10-8(9)11-7-3-5-12(2)6-4-7;1-2/h7H,3-6H2,1-2H3,(H3,9,10,11);1-2H3.
What are the key properties of ethane;2-methyl-1-(1-methylpiperidin-4-yl)guanidine?
ethane;2-methyl-1-(1-methylpiperidin-4-yl)guanidine has a molecular weight of 200.33 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-(1-methylpiperidin-4-yl)guanidine is sourced from PubChem (CID 144804925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).