1-amino-2-methyl-3-[2-(methylamino)ethyl]guanidine

C5H15N5 — CID 22977234

IUPAC1-amino-2-methyl-3-[2-(methylamino)ethyl]guanidine
SMILESC/N=C(\NN)NCCNC
InChIInChI=1S/C5H15N5/c1-7-3-4-9-5(8-2)10-6/h7H,3-4,6H2,1-2H3,(H2,8,9,10)
InChIKeyBAXSJNVYTXEWJV-UHFFFAOYSA-N
MW145.21 g/mol
LogP-1.76
Rot. Bonds3

About 1-amino-2-methyl-3-[2-(methylamino)ethyl]guanidine

1-amino-2-methyl-3-[2-(methylamino)ethyl]guanidine (PubChem CID 22977234) has the molecular formula C5H15N5 and a molecular weight of 145.21 g/mol. Its IUPAC name is 1-amino-2-methyl-3-[2-(methylamino)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-[2-(methylamino)ethyl]guanidine
PubChem CID22977234
Molecular FormulaC5H15N5
Molecular Weight145.21 g/mol
Exact Mass145.13
IUPAC Name1-amino-2-methyl-3-[2-(methylamino)ethyl]guanidine
SMILESC/N=C(\NN)NCCNC
InChIInChI=1S/C5H15N5/c1-7-3-4-9-5(8-2)10-6/h7H,3-4,6H2,1-2H3,(H2,8,9,10)
InChIKeyBAXSJNVYTXEWJV-UHFFFAOYSA-N
XLogP-1.76
TPSA74.47 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-[2-(methylamino)ethyl]guanidine?
The IUPAC name of 1-amino-2-methyl-3-[2-(methylamino)ethyl]guanidine (CID 22977234) is 1-amino-2-methyl-3-[2-(methylamino)ethyl]guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-[2-(methylamino)ethyl]guanidine?
The canonical SMILES for 1-amino-2-methyl-3-[2-(methylamino)ethyl]guanidine is C/N=C(\NN)NCCNC.
What is the InChIKey of 1-amino-2-methyl-3-[2-(methylamino)ethyl]guanidine?
The InChIKey is BAXSJNVYTXEWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N5/c1-7-3-4-9-5(8-2)10-6/h7H,3-4,6H2,1-2H3,(H2,8,9,10).
What are the key properties of 1-amino-2-methyl-3-[2-(methylamino)ethyl]guanidine?
1-amino-2-methyl-3-[2-(methylamino)ethyl]guanidine has a molecular weight of 145.21 g/mol, XLogP of -1.76, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-[2-(methylamino)ethyl]guanidine is sourced from PubChem (CID 22977234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).