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

C8H18N4 — CID 163842612

IUPAC1-methyl-1-[2-(methylamino)ethyl]-2-[(Z)-prop-1-enyl]guanidine
SMILESC/C=C\N=C(/N)N(C)CCNC
InChIInChI=1S/C8H18N4/c1-4-5-11-8(9)12(3)7-6-10-2/h4-5,10H,6-7H2,1-3H3,(H2,9,11)/b5-4-
InChIKeyONHUAIHKOHSIMN-PLNGDYQASA-N
MW170.26 g/mol
LogP-0.01
Rot. Bonds4

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

1-methyl-1-[2-(methylamino)ethyl]-2-[(Z)-prop-1-enyl]guanidine (PubChem CID 163842612) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-methyl-1-[2-(methylamino)ethyl]-2-[(Z)-prop-1-enyl]guanidine.

Molecular Properties

Compound Name1-methyl-1-[2-(methylamino)ethyl]-2-[(Z)-prop-1-enyl]guanidine
PubChem CID163842612
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name1-methyl-1-[2-(methylamino)ethyl]-2-[(Z)-prop-1-enyl]guanidine
SMILESC/C=C\N=C(/N)N(C)CCNC
InChIInChI=1S/C8H18N4/c1-4-5-11-8(9)12(3)7-6-10-2/h4-5,10H,6-7H2,1-3H3,(H2,9,11)/b5-4-
InChIKeyONHUAIHKOHSIMN-PLNGDYQASA-N
XLogP-0.01
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.01
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-methyl-1-[2-(methylamino)ethyl]-2-[(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-methyl-1-[2-(methylamino)ethyl]-2-[(Z)-prop-1-enyl]guanidine?
The IUPAC name of 1-methyl-1-[2-(methylamino)ethyl]-2-[(Z)-prop-1-enyl]guanidine (CID 163842612) is 1-methyl-1-[2-(methylamino)ethyl]-2-[(Z)-prop-1-enyl]guanidine.
What is the SMILES notation for 1-methyl-1-[2-(methylamino)ethyl]-2-[(Z)-prop-1-enyl]guanidine?
The canonical SMILES for 1-methyl-1-[2-(methylamino)ethyl]-2-[(Z)-prop-1-enyl]guanidine is C/C=C\N=C(/N)N(C)CCNC.
What is the InChIKey of 1-methyl-1-[2-(methylamino)ethyl]-2-[(Z)-prop-1-enyl]guanidine?
The InChIKey is ONHUAIHKOHSIMN-PLNGDYQASA-N. The full InChI is InChI=1S/C8H18N4/c1-4-5-11-8(9)12(3)7-6-10-2/h4-5,10H,6-7H2,1-3H3,(H2,9,11)/b5-4-.
What are the key properties of 1-methyl-1-[2-(methylamino)ethyl]-2-[(Z)-prop-1-enyl]guanidine?
1-methyl-1-[2-(methylamino)ethyl]-2-[(Z)-prop-1-enyl]guanidine has a molecular weight of 170.26 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-(methylamino)ethyl]-2-[(Z)-prop-1-enyl]guanidine is sourced from PubChem (CID 163842612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).