1-[carbamimidoyl(ethyl)amino]-2-methylguanidine

C5H14N6 — CID 151745026

IUPAC1-[carbamimidoyl(ethyl)amino]-2-methylguanidine
SMILES[H]/N=C(\N)N(CC)N/C(N)=N/C
InChIInChI=1S/C5H14N6/c1-3-11(4(6)7)10-5(8)9-2/h3H2,1-2H3,(H3,6,7)(H3,8,9,10)
InChIKeyOVVQRCWMVLPXMX-UHFFFAOYSA-N
MW158.21 g/mol
LogP-1.35
Rot. Bonds1

About 1-[carbamimidoyl(ethyl)amino]-2-methylguanidine

1-[carbamimidoyl(ethyl)amino]-2-methylguanidine (PubChem CID 151745026) has the molecular formula C5H14N6 and a molecular weight of 158.21 g/mol. Its IUPAC name is 1-[carbamimidoyl(ethyl)amino]-2-methylguanidine.

Molecular Properties

Compound Name1-[carbamimidoyl(ethyl)amino]-2-methylguanidine
PubChem CID151745026
Molecular FormulaC5H14N6
Molecular Weight158.21 g/mol
Exact Mass158.13
IUPAC Name1-[carbamimidoyl(ethyl)amino]-2-methylguanidine
SMILES[H]/N=C(\N)N(CC)N/C(N)=N/C
InChIInChI=1S/C5H14N6/c1-3-11(4(6)7)10-5(8)9-2/h3H2,1-2H3,(H3,6,7)(H3,8,9,10)
InChIKeyOVVQRCWMVLPXMX-UHFFFAOYSA-N
XLogP-1.35
TPSA103.52 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.21
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

1-carbamimidoyl-2-methylguanidine;hydrochloride
CID 176516778
N-(N'-methylcarbamimidoyl)ethanimidamide
CID 176526831
acetic acid;1-amino-1-ethylguanidine
CID 174864621
1-(2,2-dihydroxyethyl)-1-ethylguanidine
CID 20660155
N-ethyl-N-(methylamino)carbamimidoyl fluoride
CID 170771742
3-N-(1-aminoethylidene)-1-N-(N'-methylcarbamimidoyl)propanediimidamide
CID 176533594
1-amino-1-[2-[amino(carbamimidoyl)amino]ethyl]guanidine;dihydrochloride
CID 173440460
1-amino-1-dodecylguanidine
CID 141286246
1-amino-1-heptadecylguanidine
CID 141113274
3-(diaminomethylidene)-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 83031652
1-amino-1-ethoxyguanidine;hydrochloride
CID 158987183
1-butyl-1-hydroxyguanidine
CID 55288777

Frequently Asked Questions

What is the IUPAC name of 1-[carbamimidoyl(ethyl)amino]-2-methylguanidine?
The IUPAC name of 1-[carbamimidoyl(ethyl)amino]-2-methylguanidine (CID 151745026) is 1-[carbamimidoyl(ethyl)amino]-2-methylguanidine.
What is the SMILES notation for 1-[carbamimidoyl(ethyl)amino]-2-methylguanidine?
The canonical SMILES for 1-[carbamimidoyl(ethyl)amino]-2-methylguanidine is [H]/N=C(\N)N(CC)N/C(N)=N/C.
What is the InChIKey of 1-[carbamimidoyl(ethyl)amino]-2-methylguanidine?
The InChIKey is OVVQRCWMVLPXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N6/c1-3-11(4(6)7)10-5(8)9-2/h3H2,1-2H3,(H3,6,7)(H3,8,9,10).
What are the key properties of 1-[carbamimidoyl(ethyl)amino]-2-methylguanidine?
1-[carbamimidoyl(ethyl)amino]-2-methylguanidine has a molecular weight of 158.21 g/mol, XLogP of -1.35, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[carbamimidoyl(ethyl)amino]-2-methylguanidine is sourced from PubChem (CID 151745026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).