1-ethyl-2-methyl-1-[2-(methylamino)ethyl]-3-[(Z)-prop-1-enyl]guanidine

C10H22N4 — CID 174284934

IUPAC1-ethyl-2-methyl-1-[2-(methylamino)ethyl]-3-[(Z)-prop-1-enyl]guanidine
SMILESC/C=C\N/C(=N\C)N(CC)CCNC
InChIInChI=1S/C10H22N4/c1-5-7-13-10(12-4)14(6-2)9-8-11-3/h5,7,11H,6,8-9H2,1-4H3,(H,12,13)/b7-5-
InChIKeySDKAVNKPQWAYHG-ALCCZGGFSA-N
MW198.31 g/mol
LogP0.64
Rot. Bonds5

About 1-ethyl-2-methyl-1-[2-(methylamino)ethyl]-3-[(Z)-prop-1-enyl]guanidine

1-ethyl-2-methyl-1-[2-(methylamino)ethyl]-3-[(Z)-prop-1-enyl]guanidine (PubChem CID 174284934) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-ethyl-2-methyl-1-[2-(methylamino)ethyl]-3-[(Z)-prop-1-enyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-methyl-1-[2-(methylamino)ethyl]-3-[(Z)-prop-1-enyl]guanidine
PubChem CID174284934
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name1-ethyl-2-methyl-1-[2-(methylamino)ethyl]-3-[(Z)-prop-1-enyl]guanidine
SMILESC/C=C\N/C(=N\C)N(CC)CCNC
InChIInChI=1S/C10H22N4/c1-5-7-13-10(12-4)14(6-2)9-8-11-3/h5,7,11H,6,8-9H2,1-4H3,(H,12,13)/b7-5-
InChIKeySDKAVNKPQWAYHG-ALCCZGGFSA-N
XLogP0.64
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-methyl-1-[2-(methylamino)ethyl]-3-[(Z)-prop-1-enyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-1-[2-(methylamino)ethyl]-3-[(Z)-prop-1-enyl]guanidine?
The IUPAC name of 1-ethyl-2-methyl-1-[2-(methylamino)ethyl]-3-[(Z)-prop-1-enyl]guanidine (CID 174284934) is 1-ethyl-2-methyl-1-[2-(methylamino)ethyl]-3-[(Z)-prop-1-enyl]guanidine.
What is the SMILES notation for 1-ethyl-2-methyl-1-[2-(methylamino)ethyl]-3-[(Z)-prop-1-enyl]guanidine?
The canonical SMILES for 1-ethyl-2-methyl-1-[2-(methylamino)ethyl]-3-[(Z)-prop-1-enyl]guanidine is C/C=C\N/C(=N\C)N(CC)CCNC.
What is the InChIKey of 1-ethyl-2-methyl-1-[2-(methylamino)ethyl]-3-[(Z)-prop-1-enyl]guanidine?
The InChIKey is SDKAVNKPQWAYHG-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H22N4/c1-5-7-13-10(12-4)14(6-2)9-8-11-3/h5,7,11H,6,8-9H2,1-4H3,(H,12,13)/b7-5-.
What are the key properties of 1-ethyl-2-methyl-1-[2-(methylamino)ethyl]-3-[(Z)-prop-1-enyl]guanidine?
1-ethyl-2-methyl-1-[2-(methylamino)ethyl]-3-[(Z)-prop-1-enyl]guanidine has a molecular weight of 198.31 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-1-[2-(methylamino)ethyl]-3-[(Z)-prop-1-enyl]guanidine is sourced from PubChem (CID 174284934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).