1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine

C11H23N3 — CID 62860850

IUPAC1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)N(C)CC1CCC1
InChIInChI=1S/C11H23N3/c1-9(2)7-13-11(12)14(3)8-10-5-4-6-10/h9-10H,4-8H2,1-3H3,(H2,12,13)
InChIKeyDHENDDNLLZEIGZ-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.69
Rot. Bonds4

About 1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine

1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine (PubChem CID 62860850) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine
PubChem CID62860850
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)N(C)CC1CCC1
InChIInChI=1S/C11H23N3/c1-9(2)7-13-11(12)14(3)8-10-5-4-6-10/h9-10H,4-8H2,1-3H3,(H2,12,13)
InChIKeyDHENDDNLLZEIGZ-UHFFFAOYSA-N
XLogP1.69
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine with MolForge

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

Launch Full Analysis

Related Compounds

2-(Cyclobutylmethyl)-1-[3-(dimethylamino)propyl]guanidine
CID 111023913
2-[(1-Fluorocyclobutyl)methyl]-1,1-dimethylguanidine
CID 130625788
1,2-Diethyl-1-(3-methylbutyl)guanidine
CID 21191512
1,2-Dimethyl-1-(3-methylbutyl)guanidine
CID 21191528
1,1-Diethyl-2-(3-methylbutyl)guanidine
CID 57121007
1-Methyl-1-(2-methylpropyl)-2-propylguanidine
CID 62359361
2-Tert-butyl-1-methyl-1-pentylguanidine
CID 62359388
2-Tert-butyl-1-methyl-1-(3-methylbutyl)guanidine
CID 62362336
3-(Diaminomethylidene)-1-methyl-1-(3-methylbutyl)guanidine
CID 79006415
1-(4,4-Dimethylpentyl)-1,2-dimethylguanidine
CID 130227424
1,1-Dimethyl-2-(4-methylpentyl)guanidine
CID 146254175
2-Carbamimidoyl-1-methyl-1-(3-methylbutyl)guanidine
CID 176523240

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine (CID 62860850) is 1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\N)N(C)CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine?
The InChIKey is DHENDDNLLZEIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-9(2)7-13-11(12)14(3)8-10-5-4-6-10/h9-10H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of 1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine?
1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine has a molecular weight of 197.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 62860850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).