1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine

C8H17N3 — CID 130701599

IUPAC1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)CN/C(=N/C)N(C)C
InChIInChI=1S/C8H17N3/c1-7(2)6-10-8(9-3)11(4)5/h1,6H2,2-5H3,(H,9,10)
InChIKeyBWHWISRJHAZVOR-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.70
Rot. Bonds2

About 1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine

1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine (PubChem CID 130701599) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine
PubChem CID130701599
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)CN/C(=N/C)N(C)C
InChIInChI=1S/C8H17N3/c1-7(2)6-10-8(9-3)11(4)5/h1,6H2,2-5H3,(H,9,10)
InChIKeyBWHWISRJHAZVOR-UHFFFAOYSA-N
XLogP0.70
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.70
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,1,2-trimethyl-3-(2-methylprop-2-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

Related Compounds

Guanidine, N-(4-aminobutyl)-N'-(3-methyl-2-buten-1-yl)-
CID 10081459
Pterogynidine
CID 10035557
1-(4-Carbamimidamidobutyl)-3-(3-methylbut-2-en-1-yl)guanidine
CID 44221328
1,2,3-Tris(3-methylbut-2-enyl)guanidine
CID 14781546
1,2,3-Tris(3-methylbut-3-enyl)guanidine
CID 91504539
1-Butyl-3-(2-fluoroprop-2-enyl)-2-methyl-1-propylguanidine
CID 166131719
1,2,3-Tris(prop-2-enyl)-1-propylguanidine
CID 53891653
1-(4-Aminobutyl)-1-methyl-2-(3-methylbut-2-enyl)guanidine
CID 87780049
1-(4-Aminobutyl)-2-methyl-3-(3-methylbut-2-enyl)guanidine
CID 87780050
1-Cyano-2-methyl-3-(2-methylprop-2-enyl)guanidine
CID 89887513
N,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine
CID 136937320
ethane;N'-methyl-N-(2-methylprop-2-enyl)methanimidamide
CID 142904067

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine (CID 130701599) is 1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine is C=C(C)CN/C(=N/C)N(C)C.
What is the InChIKey of 1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine?
The InChIKey is BWHWISRJHAZVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-7(2)6-10-8(9-3)11(4)5/h1,6H2,2-5H3,(H,9,10).
What are the key properties of 1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine?
1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine has a molecular weight of 155.24 g/mol, XLogP of 0.70, 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-methylprop-2-enyl)guanidine is sourced from PubChem (CID 130701599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).