1,2-dimethyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine

C13H22N4 — CID 111911260

IUPAC1,2-dimethyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine
SMILESC/N=C(\NC)NCC(c1cccnc1)C(C)C
InChIInChI=1S/C13H22N4/c1-10(2)12(9-17-13(14-3)15-4)11-6-5-7-16-8-11/h5-8,10,12H,9H2,1-4H3,(H2,14,15,17)
InChIKeyYSNLEAPESLOXKN-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.62
Rot. Bonds4

About 1,2-dimethyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine

1,2-dimethyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine (PubChem CID 111911260) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1,2-dimethyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine
PubChem CID111911260
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1,2-dimethyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine
SMILESC/N=C(\NC)NCC(c1cccnc1)C(C)C
InChIInChI=1S/C13H22N4/c1-10(2)12(9-17-13(14-3)15-4)11-6-5-7-16-8-11/h5-8,10,12H,9H2,1-4H3,(H2,14,15,17)
InChIKeyYSNLEAPESLOXKN-UHFFFAOYSA-N
XLogP1.62
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine
CID 109470776
N-[(2S)-3-methyl-2-pyridin-3-ylbutyl]-2-pyrimidin-5-ylbenzamide
CID 95974684
(1S)-2-(methylamino)-1-pyridin-3-ylethanol
CID 10171254
1,2-dimethyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 75494136
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
N'-methyl-4-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyridin-3-ylbutyl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109435850
1-[1-(2-hydroxyethyl)cyclobutyl]-3-[(2R)-3-methyl-2-pyridin-3-ylbutyl]urea
CID 97227732
1,2-dimethyl-3-(2-methylpropyl)guanidine
CID 130768145
N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 50989033
1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 97068058
1-(2-ethoxyethyl)-2-methyl-3-(3-methyl-2-phenylbutyl)guanidine;hydroiodide
CID 111895046
N-(3-methyl-2-pyridin-3-ylbutyl)-3-[2-(trifluoromethyl)phenyl]butanamide
CID 71860186

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine?
The IUPAC name of 1,2-dimethyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine (CID 111911260) is 1,2-dimethyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine.
What is the SMILES notation for 1,2-dimethyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine?
The canonical SMILES for 1,2-dimethyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine is C/N=C(\NC)NCC(c1cccnc1)C(C)C.
What is the InChIKey of 1,2-dimethyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine?
The InChIKey is YSNLEAPESLOXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10(2)12(9-17-13(14-3)15-4)11-6-5-7-16-8-11/h5-8,10,12H,9H2,1-4H3,(H2,14,15,17).
What are the key properties of 1,2-dimethyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine?
1,2-dimethyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine has a molecular weight of 234.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine is sourced from PubChem (CID 111911260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).