3-amino-1,2-dimethyl-1-(1-methylpiperidin-3-yl)guanidine

C9H21N5 — CID 104881903

IUPAC3-amino-1,2-dimethyl-1-(1-methylpiperidin-3-yl)guanidine
SMILESC/N=C(\NN)N(C)C1CCCN(C)C1
InChIInChI=1S/C9H21N5/c1-11-9(12-10)14(3)8-5-4-6-13(2)7-8/h8H,4-7,10H2,1-3H3,(H,11,12)
InChIKeyGBEUXKBXNORJSF-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.54
Rot. Bonds1

About 3-amino-1,2-dimethyl-1-(1-methylpiperidin-3-yl)guanidine

3-amino-1,2-dimethyl-1-(1-methylpiperidin-3-yl)guanidine (PubChem CID 104881903) has the molecular formula C9H21N5 and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-amino-1,2-dimethyl-1-(1-methylpiperidin-3-yl)guanidine.

Molecular Properties

Compound Name3-amino-1,2-dimethyl-1-(1-methylpiperidin-3-yl)guanidine
PubChem CID104881903
Molecular FormulaC9H21N5
Molecular Weight199.30 g/mol
Exact Mass199.18
IUPAC Name3-amino-1,2-dimethyl-1-(1-methylpiperidin-3-yl)guanidine
SMILESC/N=C(\NN)N(C)C1CCCN(C)C1
InChIInChI=1S/C9H21N5/c1-11-9(12-10)14(3)8-5-4-6-13(2)7-8/h8H,4-7,10H2,1-3H3,(H,11,12)
InChIKeyGBEUXKBXNORJSF-UHFFFAOYSA-N
XLogP-0.54
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 104885933
N-amino-N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 104885934
n'-Amino-n-ethyl-3,3-difluoropiperidine-1-carboximidamide
CID 164657361
n'-Amino-n-ethyl-4,4-difluoropiperidine-1-carboximidamide
CID 164657363
triethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium chloride
CID 67068279
triethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium
CID 67068280
3-Amino-1-cyclohexyl-1,2-dimethylguanidine
CID 104881953
N-amino-N',4-dimethylpiperidine-1-carboximidamide
CID 121599478
2-ethyl-1-(methylideneamino)-3-[(3R)-1-methylpiperidin-3-yl]guanidine
CID 167285995
N'-(aminomethyl)-N-(methylamino)-4-[methyl(propyl)amino]piperidine-1-carboximidamide
CID 173638879
N-[(dipropylamino)-hydrazinylmethylidene]piperidine-1-carboximidamide
CID 176543824
2-Ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine
CID 62547164

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,2-dimethyl-1-(1-methylpiperidin-3-yl)guanidine?
The IUPAC name of 3-amino-1,2-dimethyl-1-(1-methylpiperidin-3-yl)guanidine (CID 104881903) is 3-amino-1,2-dimethyl-1-(1-methylpiperidin-3-yl)guanidine.
What is the SMILES notation for 3-amino-1,2-dimethyl-1-(1-methylpiperidin-3-yl)guanidine?
The canonical SMILES for 3-amino-1,2-dimethyl-1-(1-methylpiperidin-3-yl)guanidine is C/N=C(\NN)N(C)C1CCCN(C)C1.
What is the InChIKey of 3-amino-1,2-dimethyl-1-(1-methylpiperidin-3-yl)guanidine?
The InChIKey is GBEUXKBXNORJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5/c1-11-9(12-10)14(3)8-5-4-6-13(2)7-8/h8H,4-7,10H2,1-3H3,(H,11,12).
What are the key properties of 3-amino-1,2-dimethyl-1-(1-methylpiperidin-3-yl)guanidine?
3-amino-1,2-dimethyl-1-(1-methylpiperidin-3-yl)guanidine has a molecular weight of 199.30 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,2-dimethyl-1-(1-methylpiperidin-3-yl)guanidine is sourced from PubChem (CID 104881903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).