2-[[1-(3-bromophenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine

C18H21BrN4 — CID 119934704

IUPAC2-[[1-(3-bromophenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine
SMILESN/C(=N\CC1(c2cccc(Br)c2)CCCC1)Nc1ccccn1
InChIInChI=1S/C18H21BrN4/c19-15-7-5-6-14(12-15)18(9-2-3-10-18)13-22-17(20)23-16-8-1-4-11-21-16/h1,4-8,11-12H,2-3,9-10,13H2,(H3,20,21,22,23)
InChIKeyJUQBSMPYFXFKSM-UHFFFAOYSA-N
MW373.30 g/mol
LogP4.08
Rot. Bonds4

About 2-[[1-(3-bromophenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine

2-[[1-(3-bromophenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine (PubChem CID 119934704) has the molecular formula C18H21BrN4 and a molecular weight of 373.30 g/mol. Its IUPAC name is 2-[[1-(3-bromophenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine.

Molecular Properties

Compound Name2-[[1-(3-bromophenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine
PubChem CID119934704
Molecular FormulaC18H21BrN4
Molecular Weight373.30 g/mol
Exact Mass372.09
IUPAC Name2-[[1-(3-bromophenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine
SMILESN/C(=N\CC1(c2cccc(Br)c2)CCCC1)Nc1ccccn1
InChIInChI=1S/C18H21BrN4/c19-15-7-5-6-14(12-15)18(9-2-3-10-18)13-22-17(20)23-16-8-1-4-11-21-16/h1,4-8,11-12H,2-3,9-10,13H2,(H3,20,21,22,23)
InChIKeyJUQBSMPYFXFKSM-UHFFFAOYSA-N
XLogP4.08
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 54.08
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-pyridin-2-yl-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]guanidine;hydroiodide
CID 119148354
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)cyclobutyl]methyl]guanidine
CID 110918036
2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine
CID 119120271
2-[(1-hydroxycyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119146788
2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119117281
2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(2-methylpropyl)guanidine
CID 111812092
2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120605860
2-[[1-(3-bromophenyl)cyclobutyl]methyl]-1,1-diethylguanidine
CID 111077393
1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 119147612
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyridin-2-amine
CID 167761666

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-bromophenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine?
The IUPAC name of 2-[[1-(3-bromophenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine (CID 119934704) is 2-[[1-(3-bromophenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine.
What is the SMILES notation for 2-[[1-(3-bromophenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine?
The canonical SMILES for 2-[[1-(3-bromophenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine is N/C(=N\CC1(c2cccc(Br)c2)CCCC1)Nc1ccccn1.
What is the InChIKey of 2-[[1-(3-bromophenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine?
The InChIKey is JUQBSMPYFXFKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4/c19-15-7-5-6-14(12-15)18(9-2-3-10-18)13-22-17(20)23-16-8-1-4-11-21-16/h1,4-8,11-12H,2-3,9-10,13H2,(H3,20,21,22,23).
What are the key properties of 2-[[1-(3-bromophenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine?
2-[[1-(3-bromophenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine has a molecular weight of 373.30 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-bromophenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine is sourced from PubChem (CID 119934704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).