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

C8H18N4 — CID 59833305

IUPAC2-methyl-1-(1-methylpiperidin-4-yl)guanidine
SMILESC/N=C(\N)NC1CCN(C)CC1
InChIInChI=1S/C8H18N4/c1-10-8(9)11-7-3-5-12(2)6-4-7/h7H,3-6H2,1-2H3,(H3,9,10,11)
InChIKeyFEYFTEBPBHLNFC-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.39
Rot. Bonds1

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

2-methyl-1-(1-methylpiperidin-4-yl)guanidine (PubChem CID 59833305) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-methyl-1-(1-methylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(1-methylpiperidin-4-yl)guanidine
PubChem CID59833305
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name2-methyl-1-(1-methylpiperidin-4-yl)guanidine
SMILESC/N=C(\N)NC1CCN(C)CC1
InChIInChI=1S/C8H18N4/c1-10-8(9)11-7-3-5-12(2)6-4-7/h7H,3-6H2,1-2H3,(H3,9,10,11)
InChIKeyFEYFTEBPBHLNFC-UHFFFAOYSA-N
XLogP-0.39
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.39
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 2-methyl-1-(1-methylpiperidin-4-yl)guanidine?
The IUPAC name of 2-methyl-1-(1-methylpiperidin-4-yl)guanidine (CID 59833305) is 2-methyl-1-(1-methylpiperidin-4-yl)guanidine.
What is the SMILES notation for 2-methyl-1-(1-methylpiperidin-4-yl)guanidine?
The canonical SMILES for 2-methyl-1-(1-methylpiperidin-4-yl)guanidine is C/N=C(\N)NC1CCN(C)CC1.
What is the InChIKey of 2-methyl-1-(1-methylpiperidin-4-yl)guanidine?
The InChIKey is FEYFTEBPBHLNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-10-8(9)11-7-3-5-12(2)6-4-7/h7H,3-6H2,1-2H3,(H3,9,10,11).
What are the key properties of 2-methyl-1-(1-methylpiperidin-4-yl)guanidine?
2-methyl-1-(1-methylpiperidin-4-yl)guanidine has a molecular weight of 170.26 g/mol, XLogP of -0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylpiperidin-4-yl)guanidine is sourced from PubChem (CID 59833305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).