2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide

C14H24IN5 — CID 119117281

IUPAC2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESCN(C)C1(C/N=C(\N)Nc2ccccn2)CCCC1.I
InChIInChI=1S/C14H23N5.HI/c1-19(2)14(8-4-5-9-14)11-17-13(15)18-12-7-3-6-10-16-12;/h3,6-7,10H,4-5,8-9,11H2,1-2H3,(H3,15,16,17,18);1H
InChIKeyNCJOTPQIMPZOQQ-UHFFFAOYSA-N
MW389.29 g/mol
LogP2.30
Rot. Bonds4

About 2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide

2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide (PubChem CID 119117281) has the molecular formula C14H24IN5 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
PubChem CID119117281
Molecular FormulaC14H24IN5
Molecular Weight389.29 g/mol
Exact Mass389.11
IUPAC Name2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESCN(C)C1(C/N=C(\N)Nc2ccccn2)CCCC1.I
InChIInChI=1S/C14H23N5.HI/c1-19(2)14(8-4-5-9-14)11-17-13(15)18-12-7-3-6-10-16-12;/h3,6-7,10H,4-5,8-9,11H2,1-2H3,(H3,15,16,17,18);1H
InChIKeyNCJOTPQIMPZOQQ-UHFFFAOYSA-N
XLogP2.30
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 52.30
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-hydroxycyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119146788
2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120605860
2-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119149339
2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine
CID 119120271
2-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120605953
2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine
CID 120581767
2-[[1-(3-bromophenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine
CID 119934704
1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 119147612
2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120558132
1-pyridin-2-yl-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]guanidine;hydroiodide
CID 119148354
2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120762620
2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-pyridin-2-ylguanidine
CID 119121081

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide (CID 119117281) is 2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide is CN(C)C1(C/N=C(\N)Nc2ccccn2)CCCC1.I.
What is the InChIKey of 2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The InChIKey is NCJOTPQIMPZOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5.HI/c1-19(2)14(8-4-5-9-14)11-17-13(15)18-12-7-3-6-10-16-12;/h3,6-7,10H,4-5,8-9,11H2,1-2H3,(H3,15,16,17,18);1H.
What are the key properties of 2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide?
2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide has a molecular weight of 389.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide is sourced from PubChem (CID 119117281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).