1-amino-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine

C11H25N5 — CID 104881937

IUPAC1-amino-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
SMILESC/N=C(\NN)NCCCN1CCCCC1C
InChIInChI=1S/C11H25N5/c1-10-6-3-4-8-16(10)9-5-7-14-11(13-2)15-12/h10H,3-9,12H2,1-2H3,(H2,13,14,15)
InChIKeyYZMMKDDECLMXRF-UHFFFAOYSA-N
MW227.36 g/mol
LogP0.29
Rot. Bonds4

About 1-amino-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine

1-amino-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine (PubChem CID 104881937) has the molecular formula C11H25N5 and a molecular weight of 227.36 g/mol. Its IUPAC name is 1-amino-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
PubChem CID104881937
Molecular FormulaC11H25N5
Molecular Weight227.36 g/mol
Exact Mass227.21
IUPAC Name1-amino-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
SMILESC/N=C(\NN)NCCCN1CCCCC1C
InChIInChI=1S/C11H25N5/c1-10-6-3-4-8-16(10)9-5-7-14-11(13-2)15-12/h10H,3-9,12H2,1-2H3,(H2,13,14,15)
InChIKeyYZMMKDDECLMXRF-UHFFFAOYSA-N
XLogP0.29
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-amino-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
The IUPAC name of 1-amino-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine (CID 104881937) is 1-amino-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-amino-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine is C/N=C(\NN)NCCCN1CCCCC1C.
What is the InChIKey of 1-amino-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
The InChIKey is YZMMKDDECLMXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5/c1-10-6-3-4-8-16(10)9-5-7-14-11(13-2)15-12/h10H,3-9,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-amino-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
1-amino-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine has a molecular weight of 227.36 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine is sourced from PubChem (CID 104881937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).