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

C7H17N3 — CID 130768145

IUPAC1,2-dimethyl-3-(2-methylpropyl)guanidine
SMILESC/N=C(\NC)NCC(C)C
InChIInChI=1S/C7H17N3/c1-6(2)5-10-7(8-3)9-4/h6H,5H2,1-4H3,(H2,8,9,10)
InChIKeyUYZYTTZQZXRMOX-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.44
Rot. Bonds2

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

1,2-dimethyl-3-(2-methylpropyl)guanidine (PubChem CID 130768145) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 1,2-dimethyl-3-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-(2-methylpropyl)guanidine
PubChem CID130768145
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name1,2-dimethyl-3-(2-methylpropyl)guanidine
SMILESC/N=C(\NC)NCC(C)C
InChIInChI=1S/C7H17N3/c1-6(2)5-10-7(8-3)9-4/h6H,5H2,1-4H3,(H2,8,9,10)
InChIKeyUYZYTTZQZXRMOX-UHFFFAOYSA-N
XLogP0.44
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(5-methylhexan-2-yl)-3-(2-methylpropyl)guanidine;hydroiodide
CID 111204347
1,2-dimethyl-3-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 110927044
2-methyl-1-(2-methylpropyl)-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111179193
1-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111180111
1-[2-(tert-butylamino)ethyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111761953
1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
CID 110975003
2-methyl-1-(2-methylpropyl)-3-(3-methylsulfanylpropyl)guanidine
CID 111768551
1-[2-(dimethylamino)-3-ethylpentyl]-2,3-dimethylguanidine
CID 110927065
2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylpropyl)guanidine
CID 111835613
1-(2-hydroxyethyl)-2,3-dimethylguanidine
CID 22977239
1-(2-methoxy-3,3-dimethylbutyl)-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111711332
2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylpropyl)guanidine
CID 111828269

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(2-methylpropyl)guanidine?
The IUPAC name of 1,2-dimethyl-3-(2-methylpropyl)guanidine (CID 130768145) is 1,2-dimethyl-3-(2-methylpropyl)guanidine.
What is the SMILES notation for 1,2-dimethyl-3-(2-methylpropyl)guanidine?
The canonical SMILES for 1,2-dimethyl-3-(2-methylpropyl)guanidine is C/N=C(\NC)NCC(C)C.
What is the InChIKey of 1,2-dimethyl-3-(2-methylpropyl)guanidine?
The InChIKey is UYZYTTZQZXRMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-6(2)5-10-7(8-3)9-4/h6H,5H2,1-4H3,(H2,8,9,10).
What are the key properties of 1,2-dimethyl-3-(2-methylpropyl)guanidine?
1,2-dimethyl-3-(2-methylpropyl)guanidine has a molecular weight of 143.23 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(2-methylpropyl)guanidine is sourced from PubChem (CID 130768145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).