1,3-diethyl-2-methylguanidine

C6H15N3 — CID 58687650

IUPAC1,3-diethyl-2-methylguanidine
SMILESCCNC(=NC)NCC
InChIInChI=1S/C6H15N3/c1-4-8-6(7-3)9-5-2/h4-5H2,1-3H3,(H2,7,8,9)
InChIKeyDCNSLAZHSCQZOW-UHFFFAOYSA-N
MW129.21 g/mol
LogP0.19
Rot. Bonds2

About 1,3-diethyl-2-methylguanidine

1,3-diethyl-2-methylguanidine (PubChem CID 58687650) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is 1,3-diethyl-2-methylguanidine.

Molecular Properties

Compound Name1,3-diethyl-2-methylguanidine
PubChem CID58687650
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name1,3-diethyl-2-methylguanidine
SMILESCCNC(=NC)NCC
InChIInChI=1S/C6H15N3/c1-4-8-6(7-3)9-5-2/h4-5H2,1-3H3,(H2,7,8,9)
InChIKeyDCNSLAZHSCQZOW-UHFFFAOYSA-N
XLogP0.19
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopropylmethyl)-3-ethyl-2-methylguanidine
CID 131101788
1-but-3-ynyl-3-ethyl-2-methylguanidine;hydroiodide
CID 130712154
N-[2-[(N-ethyl-N'-methylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
CID 111927159
N-tert-butyl-2-[(N-ethyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
CID 111384012
1-ethyl-2-methyl-3-phenylguanidine
CID 140989198
1-ethyl-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 66863219
1-ethyl-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine
CID 111953365
1-ethyl-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415942
1-[(3R)-3-ethoxy-4-methylpentyl]-3-ethyl-2-methylguanidine
CID 97220766
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-methylguanidine
CID 84584168
1-ethyl-2-methyl-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 71931073
1-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-methylguanidine;hydroiodide
CID 111937740

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-methylguanidine?
The IUPAC name of 1,3-diethyl-2-methylguanidine (CID 58687650) is 1,3-diethyl-2-methylguanidine.
What is the SMILES notation for 1,3-diethyl-2-methylguanidine?
The canonical SMILES for 1,3-diethyl-2-methylguanidine is CCNC(=NC)NCC.
What is the InChIKey of 1,3-diethyl-2-methylguanidine?
The InChIKey is DCNSLAZHSCQZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3/c1-4-8-6(7-3)9-5-2/h4-5H2,1-3H3,(H2,7,8,9).
What are the key properties of 1,3-diethyl-2-methylguanidine?
1,3-diethyl-2-methylguanidine has a molecular weight of 129.21 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-methylguanidine is sourced from PubChem (CID 58687650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).