1-[N'-[[ethyl(methyl)amino]methyl]carbamimidoyl]-3-propan-2-ylideneguanidine

C9H20N6 — CID 176522076

IUPAC1-[N'-[[ethyl(methyl)amino]methyl]carbamimidoyl]-3-propan-2-ylideneguanidine
SMILES[H]/N=C(\N=C(C)C)NC(N)=NCN(C)CC
InChIInChI=1S/C9H20N6/c1-5-15(4)6-12-8(10)14-9(11)13-7(2)3/h5-6H2,1-4H3,(H4,10,11,12,14)
InChIKeyLPSSHKRKWHNNPJ-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.22
Rot. Bonds3

About 1-[N'-[[ethyl(methyl)amino]methyl]carbamimidoyl]-3-propan-2-ylideneguanidine

1-[N'-[[ethyl(methyl)amino]methyl]carbamimidoyl]-3-propan-2-ylideneguanidine (PubChem CID 176522076) has the molecular formula C9H20N6 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-[N'-[[ethyl(methyl)amino]methyl]carbamimidoyl]-3-propan-2-ylideneguanidine.

Molecular Properties

Compound Name1-[N'-[[ethyl(methyl)amino]methyl]carbamimidoyl]-3-propan-2-ylideneguanidine
PubChem CID176522076
Molecular FormulaC9H20N6
Molecular Weight212.30 g/mol
Exact Mass212.17
IUPAC Name1-[N'-[[ethyl(methyl)amino]methyl]carbamimidoyl]-3-propan-2-ylideneguanidine
SMILES[H]/N=C(\N=C(C)C)NC(N)=NCN(C)CC
InChIInChI=1S/C9H20N6/c1-5-15(4)6-12-8(10)14-9(11)13-7(2)3/h5-6H2,1-4H3,(H4,10,11,12,14)
InChIKeyLPSSHKRKWHNNPJ-UHFFFAOYSA-N
XLogP0.22
TPSA89.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-carbamimidoyl-2-[3-(dimethylamino)propyl]guanidine
CID 176532875
1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine
CID 176546971
1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride
CID 176540701
CID 59060895
CID 59060895
CID 135991968
CID 135991968
1,1-dimethyl-3-(N'-pentylcarbamimidoyl)guanidine;hydrochloride
CID 176524917
acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176521105
1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 176547006
3-N-(1-aminoethylidene)-1-N-(N'-methylcarbamimidoyl)propanediimidamide
CID 176533594
1-carbamimidoyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine
CID 176546798
1-carbamimidoyl-2-hexylguanidine
CID 176518657
2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329

Frequently Asked Questions

What is the IUPAC name of 1-[N'-[[ethyl(methyl)amino]methyl]carbamimidoyl]-3-propan-2-ylideneguanidine?
The IUPAC name of 1-[N'-[[ethyl(methyl)amino]methyl]carbamimidoyl]-3-propan-2-ylideneguanidine (CID 176522076) is 1-[N'-[[ethyl(methyl)amino]methyl]carbamimidoyl]-3-propan-2-ylideneguanidine.
What is the SMILES notation for 1-[N'-[[ethyl(methyl)amino]methyl]carbamimidoyl]-3-propan-2-ylideneguanidine?
The canonical SMILES for 1-[N'-[[ethyl(methyl)amino]methyl]carbamimidoyl]-3-propan-2-ylideneguanidine is [H]/N=C(\N=C(C)C)NC(N)=NCN(C)CC.
What is the InChIKey of 1-[N'-[[ethyl(methyl)amino]methyl]carbamimidoyl]-3-propan-2-ylideneguanidine?
The InChIKey is LPSSHKRKWHNNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N6/c1-5-15(4)6-12-8(10)14-9(11)13-7(2)3/h5-6H2,1-4H3,(H4,10,11,12,14).
What are the key properties of 1-[N'-[[ethyl(methyl)amino]methyl]carbamimidoyl]-3-propan-2-ylideneguanidine?
1-[N'-[[ethyl(methyl)amino]methyl]carbamimidoyl]-3-propan-2-ylideneguanidine has a molecular weight of 212.30 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N'-[[ethyl(methyl)amino]methyl]carbamimidoyl]-3-propan-2-ylideneguanidine is sourced from PubChem (CID 176522076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).