1,1,2-trimethyl-3-(2-methylpropyl)guanidine

C8H19N3 — CID 20715202

IUPAC1,1,2-trimethyl-3-(2-methylpropyl)guanidine
SMILESC/N=C(/NCC(C)C)N(C)C
InChIInChI=1S/C8H19N3/c1-7(2)6-10-8(9-3)11(4)5/h7H,6H2,1-5H3,(H,9,10)
InChIKeyKRDOUDRXUMBARG-UHFFFAOYSA-N
MW157.26 g/mol
LogP0.78
Rot. Bonds2

About 1,1,2-trimethyl-3-(2-methylpropyl)guanidine

1,1,2-trimethyl-3-(2-methylpropyl)guanidine (PubChem CID 20715202) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 1,1,2-trimethyl-3-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1,1,2-trimethyl-3-(2-methylpropyl)guanidine
PubChem CID20715202
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name1,1,2-trimethyl-3-(2-methylpropyl)guanidine
SMILESC/N=C(/NCC(C)C)N(C)C
InChIInChI=1S/C8H19N3/c1-7(2)6-10-8(9-3)11(4)5/h7H,6H2,1-5H3,(H,9,10)
InChIKeyKRDOUDRXUMBARG-UHFFFAOYSA-N
XLogP0.78
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.78
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 1,1,2-trimethyl-3-(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

N,N',N''-tris(propan-2-yl)guanidine
CID 547015
N,N''-Dibutylguanidine
CID 14771682
4-(Dimethylamino)-6-(isobutylamino)-1,3,5-triazine-2-thiol
CID 898985
1-Butyl-2-propylguanidine;hydrochloride
CID 45261166
N,N'-Dibutyl-N''-cyanoguanidine
CID 370387
1,1-Diethyl-2,3-di(propan-2-yl)guanidine
CID 15827441
N,N'-diisobutylguanidine
CID 23103989
[Dimethylamino(ethylamino)methylidene]-dimethylazanium
CID 45029433
1-Methyl-1-(2-methylpropyl)-2,3-di(propan-2-yl)guanidine
CID 101405084
5-Methyl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 12052714
N-Butyl-N''-propyl-guanidine; hydrochloride
CID 13600221
1-Butan-2-yl-2-propylguanidine
CID 13600217

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-3-(2-methylpropyl)guanidine?
The IUPAC name of 1,1,2-trimethyl-3-(2-methylpropyl)guanidine (CID 20715202) is 1,1,2-trimethyl-3-(2-methylpropyl)guanidine.
What is the SMILES notation for 1,1,2-trimethyl-3-(2-methylpropyl)guanidine?
The canonical SMILES for 1,1,2-trimethyl-3-(2-methylpropyl)guanidine is C/N=C(/NCC(C)C)N(C)C.
What is the InChIKey of 1,1,2-trimethyl-3-(2-methylpropyl)guanidine?
The InChIKey is KRDOUDRXUMBARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-7(2)6-10-8(9-3)11(4)5/h7H,6H2,1-5H3,(H,9,10).
What are the key properties of 1,1,2-trimethyl-3-(2-methylpropyl)guanidine?
1,1,2-trimethyl-3-(2-methylpropyl)guanidine has a molecular weight of 157.26 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-3-(2-methylpropyl)guanidine is sourced from PubChem (CID 20715202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).