2-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1-pyridin-2-ylguanidine;hydroiodide

C15H26IN5 — CID 119161153

IUPAC2-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESCC(C)CN1CCC(C/N=C(\N)Nc2ccccn2)C1.I
InChIInChI=1S/C15H25N5.HI/c1-12(2)10-20-8-6-13(11-20)9-18-15(16)19-14-5-3-4-7-17-14;/h3-5,7,12-13H,6,8-11H2,1-2H3,(H3,16,17,18,19);1H
InChIKeyGSNHGLDNHYPCKU-UHFFFAOYSA-N
MW403.31 g/mol
LogP2.40
Rot. Bonds5

About 2-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1-pyridin-2-ylguanidine;hydroiodide

2-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1-pyridin-2-ylguanidine;hydroiodide (PubChem CID 119161153) has the molecular formula C15H26IN5 and a molecular weight of 403.31 g/mol. Its IUPAC name is 2-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1-pyridin-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
PubChem CID119161153
Molecular FormulaC15H26IN5
Molecular Weight403.31 g/mol
Exact Mass403.12
IUPAC Name2-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESCC(C)CN1CCC(C/N=C(\N)Nc2ccccn2)C1.I
InChIInChI=1S/C15H25N5.HI/c1-12(2)10-20-8-6-13(11-20)9-18-15(16)19-14-5-3-4-7-17-14;/h3-5,7,12-13H,6,8-11H2,1-2H3,(H3,16,17,18,19);1H
InChIKeyGSNHGLDNHYPCKU-UHFFFAOYSA-N
XLogP2.40
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119119120
2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120762620
2-[(4-cyanocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120727880
2-[(1-methylsulfonylpiperidin-2-yl)methyl]-1-pyridin-2-ylguanidine
CID 120973639
2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-phenylguanidine
CID 111858324
2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine
CID 119146849
2-(2-cycloheptyloxyethyl)-1-pyridin-2-ylguanidine;hydroiodide
CID 119147770
2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111065361
N'-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]azepane-1-carboximidamide;hydroiodide
CID 75495275
2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120662941
2-[(1-ethylpyrrolidin-3-yl)methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111065554
2-[(4-benzylmorpholin-2-yl)methyl]-1-pyridin-2-ylguanidine
CID 119117265

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1-pyridin-2-ylguanidine;hydroiodide (CID 119161153) is 2-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1-pyridin-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1-pyridin-2-ylguanidine;hydroiodide is CC(C)CN1CCC(C/N=C(\N)Nc2ccccn2)C1.I.
What is the InChIKey of 2-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The InChIKey is GSNHGLDNHYPCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5.HI/c1-12(2)10-20-8-6-13(11-20)9-18-15(16)19-14-5-3-4-7-17-14;/h3-5,7,12-13H,6,8-11H2,1-2H3,(H3,16,17,18,19);1H.
What are the key properties of 2-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1-pyridin-2-ylguanidine;hydroiodide?
2-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1-pyridin-2-ylguanidine;hydroiodide has a molecular weight of 403.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1-pyridin-2-ylguanidine;hydroiodide is sourced from PubChem (CID 119161153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).