N-(2-benzylcyclopropyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide

C16H24IN3 — CID 119138382

IUPACN-(2-benzylcyclopropyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NC1CC1Cc1ccccc1)N1CCCC1.I
InChIInChI=1S/C16H23N3.HI/c1-17-16(19-9-5-6-10-19)18-15-12-14(15)11-13-7-3-2-4-8-13;/h2-4,7-8,14-15H,5-6,9-12H2,1H3,(H,17,18);1H
InChIKeySUFJIRAQVZJQFU-UHFFFAOYSA-N
MW385.29 g/mol
LogP2.91
Rot. Bonds3

About N-(2-benzylcyclopropyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide

N-(2-benzylcyclopropyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 119138382) has the molecular formula C16H24IN3 and a molecular weight of 385.29 g/mol. Its IUPAC name is N-(2-benzylcyclopropyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-(2-benzylcyclopropyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID119138382
Molecular FormulaC16H24IN3
Molecular Weight385.29 g/mol
Exact Mass385.10
IUPAC NameN-(2-benzylcyclopropyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NC1CC1Cc1ccccc1)N1CCCC1.I
InChIInChI=1S/C16H23N3.HI/c1-17-16(19-9-5-6-10-19)18-15-12-14(15)11-13-7-3-2-4-8-13;/h2-4,7-8,14-15H,5-6,9-12H2,1H3,(H,17,18);1H
InChIKeySUFJIRAQVZJQFU-UHFFFAOYSA-N
XLogP2.91
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2-benzylcyclopropyl)-N'-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 119161477
N-(2-benzylcyclopropyl)-N'-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119162459
N-(2-benzylcyclopropyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119161308
N-(2-benzylcyclopropyl)-N'-methyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119162483
N-(2-benzylcyclopropyl)-3-(2,5-dihydropyrrol-1-yl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119162491
N-(2-benzylcyclopropyl)-N'-methyl-1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecane-4-carboximidamide;hydroiodide
CID 119163023
N-(2-benzylcyclopropyl)-3-(2,5-dihydropyrrol-1-yl)-N'-methylpyrrolidine-1-carboximidamide
CID 119162492
1-(2-benzylcyclopropyl)-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 119146210
N-(2-benzylsulfinylethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119135676
N'-methyl-N-(5-phenylpentyl)pyrrolidine-1-carboximidamide
CID 110935446
1-(2-benzylcyclopropyl)-2-methyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine;hydroiodide
CID 119162401
N'-methyl-4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide;hydroiodide
CID 110962172

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylcyclopropyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-(2-benzylcyclopropyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide (CID 119138382) is N-(2-benzylcyclopropyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-(2-benzylcyclopropyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-(2-benzylcyclopropyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide is C/N=C(/NC1CC1Cc1ccccc1)N1CCCC1.I.
What is the InChIKey of N-(2-benzylcyclopropyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is SUFJIRAQVZJQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3.HI/c1-17-16(19-9-5-6-10-19)18-15-12-14(15)11-13-7-3-2-4-8-13;/h2-4,7-8,14-15H,5-6,9-12H2,1H3,(H,17,18);1H.
What are the key properties of N-(2-benzylcyclopropyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
N-(2-benzylcyclopropyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 385.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylcyclopropyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119138382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).