2-methyl-1-(2-methylbutyl)guanidine

C7H17N3 — CID 21043791

IUPAC2-methyl-1-(2-methylbutyl)guanidine
SMILESCCC(C)CN/C(N)=N/C
InChIInChI=1S/C7H17N3/c1-4-6(2)5-10-7(8)9-3/h6H,4-5H2,1-3H3,(H3,8,9,10)
InChIKeyFZIUIHNPOXUHAD-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.57
Rot. Bonds3

About 2-methyl-1-(2-methylbutyl)guanidine

2-methyl-1-(2-methylbutyl)guanidine (PubChem CID 21043791) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-methyl-1-(2-methylbutyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-methylbutyl)guanidine
PubChem CID21043791
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name2-methyl-1-(2-methylbutyl)guanidine
SMILESCCC(C)CN/C(N)=N/C
InChIInChI=1S/C7H17N3/c1-4-6(2)5-10-7(8)9-3/h6H,4-5H2,1-3H3,(H3,8,9,10)
InChIKeyFZIUIHNPOXUHAD-UHFFFAOYSA-N
XLogP0.57
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.57
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

N,N''-Dibutylguanidine
CID 14771682
N-(4-Aminobutyl)-N'-methylguanidine
CID 196509
N,N'-Dibutyltriimidodicarbonic diamide--hydrogen chloride (1/1)
CID 9570960
5-Methyl-1,4,5,6-tetrahydropyrimidin-2-amine hydrochloride
CID 17851080
2-(6-Aminohexyl)-1-(3-methylbutyl)guanidine
CID 24879514
1-Butyl-2-propylguanidine;hydrochloride
CID 45261166
N,N'-diisobutylguanidine
CID 23103989
5-Methyl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 12052714
N-Butyl-N''-propyl-guanidine; hydrochloride
CID 13600221
1-Butyl-2-methylguanidine
CID 18952145
1-Isoamylbiguanide monohydrochloride
CID 176527791
[Butylamino(methylamino)methylidene]-dimethylazanium
CID 102337415

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylbutyl)guanidine?
The IUPAC name of 2-methyl-1-(2-methylbutyl)guanidine (CID 21043791) is 2-methyl-1-(2-methylbutyl)guanidine.
What is the SMILES notation for 2-methyl-1-(2-methylbutyl)guanidine?
The canonical SMILES for 2-methyl-1-(2-methylbutyl)guanidine is CCC(C)CN/C(N)=N/C.
What is the InChIKey of 2-methyl-1-(2-methylbutyl)guanidine?
The InChIKey is FZIUIHNPOXUHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-4-6(2)5-10-7(8)9-3/h6H,4-5H2,1-3H3,(H3,8,9,10).
What are the key properties of 2-methyl-1-(2-methylbutyl)guanidine?
2-methyl-1-(2-methylbutyl)guanidine has a molecular weight of 143.23 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylbutyl)guanidine is sourced from PubChem (CID 21043791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).