1-ethyl-1-methylguanidine

C4H11N3 — CID 19456

IUPAC1-ethyl-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CC
InChIInChI=1S/C4H11N3/c1-3-7(2)4(5)6/h3H2,1-2H3,(H3,5,6)
InChIKeyFWGSQBLSFXFROK-UHFFFAOYSA-N
MW101.15 g/mol
LogP-0.17
Rot. Bonds1

About 1-ethyl-1-methylguanidine

1-ethyl-1-methylguanidine (PubChem CID 19456) has the molecular formula C4H11N3 and a molecular weight of 101.15 g/mol. Its IUPAC name is 1-ethyl-1-methylguanidine.

Molecular Properties

Compound Name1-ethyl-1-methylguanidine
PubChem CID19456
Molecular FormulaC4H11N3
Molecular Weight101.15 g/mol
Exact Mass101.10
IUPAC Name1-ethyl-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CC
InChIInChI=1S/C4H11N3/c1-3-7(2)4(5)6/h3H2,1-2H3,(H3,5,6)
InChIKeyFWGSQBLSFXFROK-UHFFFAOYSA-N
XLogP-0.17
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.17
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

1,1-Diethylguanidine
CID 14467
N,N,N',N'-Tetraethylguanidine
CID 234841
1,1-Diethylguanidine hydrochloride
CID 70686
1-[2-[Carbamimidoyl(methyl)amino]ethyl]-1-methyl-guanidine
CID 469978
1,3,5-Triazine, 2,4-diamino-5-ethyl-5,6-dihydro-6-imino-
CID 129933113
n-Butyl-guanylguanidin
CID 15595708
Methyl-propylguanidine
CID 18614735
Trimethyl propylguanidine
CID 54447877
Selenoethyl-guanidine
CID 129674770
n,n-Dipropyl-guanidine
CID 9494
N,N-Diethylimidoformamide
CID 17912027
Methylpropylguanidine hydrochloride
CID 172994316

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methylguanidine?
The IUPAC name of 1-ethyl-1-methylguanidine (CID 19456) is 1-ethyl-1-methylguanidine.
What is the SMILES notation for 1-ethyl-1-methylguanidine?
The canonical SMILES for 1-ethyl-1-methylguanidine is [H]/N=C(\N)N(C)CC.
What is the InChIKey of 1-ethyl-1-methylguanidine?
The InChIKey is FWGSQBLSFXFROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3/c1-3-7(2)4(5)6/h3H2,1-2H3,(H3,5,6).
What are the key properties of 1-ethyl-1-methylguanidine?
1-ethyl-1-methylguanidine has a molecular weight of 101.15 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methylguanidine is sourced from PubChem (CID 19456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).