1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide

C12H19IN4 — CID 119140089

IUPAC1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(\NCc1ccccn1)NC1CCC1.I
InChIInChI=1S/C12H18N4.HI/c1-13-12(16-10-6-4-7-10)15-9-11-5-2-3-8-14-11;/h2-3,5,8,10H,4,6-7,9H2,1H3,(H2,13,15,16);1H
InChIKeyVTOUOQXSPSCAAX-UHFFFAOYSA-N
MW346.22 g/mol
LogP1.92
Rot. Bonds3

About 1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide

1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide (PubChem CID 119140089) has the molecular formula C12H19IN4 and a molecular weight of 346.22 g/mol. Its IUPAC name is 1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
PubChem CID119140089
Molecular FormulaC12H19IN4
Molecular Weight346.22 g/mol
Exact Mass346.07
IUPAC Name1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(\NCc1ccccn1)NC1CCC1.I
InChIInChI=1S/C12H18N4.HI/c1-13-12(16-10-6-4-7-10)15-9-11-5-2-3-8-14-11;/h2-3,5,8,10H,4,6-7,9H2,1H3,(H2,13,15,16);1H
InChIKeyVTOUOQXSPSCAAX-UHFFFAOYSA-N
XLogP1.92
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 51.92
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 110957791
1-cyclopropyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 110933648
1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 119153797
2-methyl-1-(pyridin-2-ylmethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 110968547
1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 116510700
1-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 111922527
1-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111920866
1-cyclohexyl-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 109400686
1-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111771191
1-cyclopentyl-3-(pyridin-2-ylmethyl)thiourea
CID 19686556
1-cyclohexyl-3-(isoquinolin-1-ylmethyl)-2-methylguanidine
CID 110957626
1-cyclopentyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 110990848

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide (CID 119140089) is 1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide is C/N=C(\NCc1ccccn1)NC1CCC1.I.
What is the InChIKey of 1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is VTOUOQXSPSCAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4.HI/c1-13-12(16-10-6-4-7-10)15-9-11-5-2-3-8-14-11;/h2-3,5,8,10H,4,6-7,9H2,1H3,(H2,13,15,16);1H.
What are the key properties of 1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide?
1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 346.22 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 119140089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).