1-methyl-1-octylguanidine

C10H23N3 — CID 23103925

IUPAC1-methyl-1-octylguanidine
SMILES[H]/N=C(\N)N(C)CCCCCCCC
InChIInChI=1S/C10H23N3/c1-3-4-5-6-7-8-9-13(2)10(11)12/h3-9H2,1-2H3,(H3,11,12)
InChIKeyMCGRLJTVRSUBIO-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.17
Rot. Bonds7

About 1-methyl-1-octylguanidine

1-methyl-1-octylguanidine (PubChem CID 23103925) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-methyl-1-octylguanidine.

Molecular Properties

Compound Name1-methyl-1-octylguanidine
PubChem CID23103925
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1-methyl-1-octylguanidine
SMILES[H]/N=C(\N)N(C)CCCCCCCC
InChIInChI=1S/C10H23N3/c1-3-4-5-6-7-8-9-13(2)10(11)12/h3-9H2,1-2H3,(H3,11,12)
InChIKeyMCGRLJTVRSUBIO-UHFFFAOYSA-N
XLogP2.17
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-1-octylguanidine 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-octylguanidine?
The IUPAC name of 1-methyl-1-octylguanidine (CID 23103925) is 1-methyl-1-octylguanidine.
What is the SMILES notation for 1-methyl-1-octylguanidine?
The canonical SMILES for 1-methyl-1-octylguanidine is [H]/N=C(\N)N(C)CCCCCCCC.
What is the InChIKey of 1-methyl-1-octylguanidine?
The InChIKey is MCGRLJTVRSUBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-3-4-5-6-7-8-9-13(2)10(11)12/h3-9H2,1-2H3,(H3,11,12).
What are the key properties of 1-methyl-1-octylguanidine?
1-methyl-1-octylguanidine has a molecular weight of 185.31 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-octylguanidine is sourced from PubChem (CID 23103925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).