4-(2-bicyclo[2.2.1]heptanyl)-N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide

C19H32IN5 — CID 119155436

IUPAC4-(2-bicyclo[2.2.1]heptanyl)-N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1cccn1C)N1CCN(C2CC3CCC2C3)CC1.I
InChIInChI=1S/C19H31N5.HI/c1-20-19(21-14-17-4-3-7-22(17)2)24-10-8-23(9-11-24)18-13-15-5-6-16(18)12-15;/h3-4,7,15-16,18H,5-6,8-14H2,1-2H3,(H,20,21);1H
InChIKeyXEABZTDZZUHKGW-UHFFFAOYSA-N
MW457.40 g/mol
LogP2.52
Rot. Bonds3

About 4-(2-bicyclo[2.2.1]heptanyl)-N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide

4-(2-bicyclo[2.2.1]heptanyl)-N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 119155436) has the molecular formula C19H32IN5 and a molecular weight of 457.40 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanyl)-N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanyl)-N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID119155436
Molecular FormulaC19H32IN5
Molecular Weight457.40 g/mol
Exact Mass457.17
IUPAC Name4-(2-bicyclo[2.2.1]heptanyl)-N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1cccn1C)N1CCN(C2CC3CCC2C3)CC1.I
InChIInChI=1S/C19H31N5.HI/c1-20-19(21-14-17-4-3-7-22(17)2)24-10-8-23(9-11-24)18-13-15-5-6-16(18)12-15;/h3-4,7,15-16,18H,5-6,8-14H2,1-2H3,(H,20,21);1H
InChIKeyXEABZTDZZUHKGW-UHFFFAOYSA-N
XLogP2.52
TPSA35.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
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

N'-methyl-4-(2-methylpropanoyl)-N-[(1-methylpyrrol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119154761
N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119154691
4-(2-bicyclo[2.2.1]heptanyl)-N-[(1-hydroxycyclobutyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 119156502
4-cyclopropyl-N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 119155428
4-(2-bicyclo[2.2.1]heptanyl)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N'-methylpiperazine-1-carboximidamide
CID 109406440
N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpyrrolidine-1-carboximidamide
CID 119155019
N-[(1-acetylpiperidin-4-yl)methyl]-4-(2-bicyclo[2.2.1]heptanyl)-N'-methylpiperazine-1-carboximidamide
CID 119157414
N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 119154696
4-(2-bicyclo[2.2.1]heptanyl)-N'-methyl-N-[2-(oxan-4-yl)ethyl]piperazine-1-carboximidamide
CID 119154436
1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide
CID 119140035
1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119140036
N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecane-4-carboximidamide
CID 119155657

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide (CID 119155436) is 4-(2-bicyclo[2.2.1]heptanyl)-N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanyl)-N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanyl)-N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide is C/N=C(\NCc1cccn1C)N1CCN(C2CC3CCC2C3)CC1.I.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanyl)-N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is XEABZTDZZUHKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5.HI/c1-20-19(21-14-17-4-3-7-22(17)2)24-10-8-23(9-11-24)18-13-15-5-6-16(18)12-15;/h3-4,7,15-16,18H,5-6,8-14H2,1-2H3,(H,20,21);1H.
What are the key properties of 4-(2-bicyclo[2.2.1]heptanyl)-N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
4-(2-bicyclo[2.2.1]heptanyl)-N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 457.40 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanyl)-N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119155436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).