1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-methylguanidine

C9H21N5 — CID 104882388

IUPAC1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-methylguanidine
SMILESC/N=C(\NN)NC1CCN(C)C(C)C1
InChIInChI=1S/C9H21N5/c1-7-6-8(4-5-14(7)3)12-9(11-2)13-10/h7-8H,4-6,10H2,1-3H3,(H2,11,12,13)
InChIKeyUEWOSDGCCDTETJ-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.49
Rot. Bonds1

About 1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-methylguanidine

1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-methylguanidine (PubChem CID 104882388) has the molecular formula C9H21N5 and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-methylguanidine
PubChem CID104882388
Molecular FormulaC9H21N5
Molecular Weight199.30 g/mol
Exact Mass199.18
IUPAC Name1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-methylguanidine
SMILESC/N=C(\NN)NC1CCN(C)C(C)C1
InChIInChI=1S/C9H21N5/c1-7-6-8(4-5-14(7)3)12-9(11-2)13-10/h7-8H,4-6,10H2,1-3H3,(H2,11,12,13)
InChIKeyUEWOSDGCCDTETJ-UHFFFAOYSA-N
XLogP-0.49
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
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

[4-[(N-amino-N'-methylcarbamimidoyl)amino]cyclohexyl]-trimethylazanium chloride
CID 17968546
[4-[(N-amino-N'-methylcarbamimidoyl)amino]cyclohexyl]-trimethylazanium
CID 17968547
3-Amino-1-(4-aminocyclohexyl)-1,2-dimethylguanidine
CID 17968550
1-Amino-3-[4-(dimethylamino)cyclohexyl]-2-methylguanidine
CID 17968570
3-Amino-1,2-dimethyl-1-[4-(methylamino)cyclohexyl]guanidine
CID 57559055
1-Amino-3-(4-aminocyclohexyl)-2-methylguanidine
CID 57559056
2-Methyl-1-(1-methylpiperidin-4-yl)guanidine
CID 59833305
1-Amino-3-cyclohexyl-2-methylguanidine
CID 91089056
2-Methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 122413000
5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2,3-dihydro-1H-1,2,4-triazol-3-amine
CID 126669700
3-amino-1-ethyl-2-(N-hexyl-N'-methylcarbamimidoyl)-1-methylguanidine
CID 142534865
Ethane;2-methyl-1-(1-methylpiperidin-4-yl)guanidine
CID 144804925

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-methylguanidine (CID 104882388) is 1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-methylguanidine is C/N=C(\NN)NC1CCN(C)C(C)C1.
What is the InChIKey of 1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-methylguanidine?
The InChIKey is UEWOSDGCCDTETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5/c1-7-6-8(4-5-14(7)3)12-9(11-2)13-10/h7-8H,4-6,10H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-methylguanidine?
1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-methylguanidine has a molecular weight of 199.30 g/mol, XLogP of -0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-methylguanidine is sourced from PubChem (CID 104882388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).