3-(diethylamino)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydrobromide

C16H33BrN4O — CID 146091761

IUPAC3-(diethylamino)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydrobromide
SMILESBr.CCN(CC)C1CCN(/C(=N/C)NCC2CCCC2O)C1
InChIInChI=1S/C16H32N4O.BrH/c1-4-19(5-2)14-9-10-20(12-14)16(17-3)18-11-13-7-6-8-15(13)21;/h13-15,21H,4-12H2,1-3H3,(H,17,18);1H
InChIKeyLELXDRGEXDGEFK-UHFFFAOYSA-N
MW377.37 g/mol
LogP1.72
Rot. Bonds5

About 3-(diethylamino)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydrobromide

3-(diethylamino)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydrobromide (PubChem CID 146091761) has the molecular formula C16H33BrN4O and a molecular weight of 377.37 g/mol. Its IUPAC name is 3-(diethylamino)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydrobromide.

Molecular Properties

Compound Name3-(diethylamino)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydrobromide
PubChem CID146091761
Molecular FormulaC16H33BrN4O
Molecular Weight377.37 g/mol
Exact Mass376.18
IUPAC Name3-(diethylamino)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydrobromide
SMILESBr.CCN(CC)C1CCN(/C(=N/C)NCC2CCCC2O)C1
InChIInChI=1S/C16H32N4O.BrH/c1-4-19(5-2)14-9-10-20(12-14)16(17-3)18-11-13-7-6-8-15(13)21;/h13-15,21H,4-12H2,1-3H3,(H,17,18);1H
InChIKeyLELXDRGEXDGEFK-UHFFFAOYSA-N
XLogP1.72
TPSA51.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 51.72
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'}

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Related Compounds

4-(cyclopentylmethoxy)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpiperidine-1-carboximidamide
CID 119155727
N-[(5-cyano-2-fluorophenyl)methyl]-3-(diethylamino)-N'-methylpyrrolidine-1-carboximidamide
CID 111992031
N-[(2-hydroxycyclopentyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
CID 119155719
N-(cyclobutylmethyl)-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 75482169
2-[[[3-(diethylamino)pyrrolidin-1-yl]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110039084
3-(diethylamino)-N'-phenylpyrrolidine-1-carboximidamide
CID 55225122
3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 115663003
[3-(diethylamino)piperidin-1-yl]methanol
CID 89090759
2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid
CID 63175274
1-butanoyl-N-[(2-hydroxycyclopentyl)methyl]piperidine-4-carboxamide
CID 111471288
1-[(2-hydroxycyclopentyl)methyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylguanidine
CID 119155203
1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine
CID 119155581

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydrobromide?
The IUPAC name of 3-(diethylamino)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydrobromide (CID 146091761) is 3-(diethylamino)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydrobromide.
What is the SMILES notation for 3-(diethylamino)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydrobromide?
The canonical SMILES for 3-(diethylamino)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydrobromide is Br.CCN(CC)C1CCN(/C(=N/C)NCC2CCCC2O)C1.
What is the InChIKey of 3-(diethylamino)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydrobromide?
The InChIKey is LELXDRGEXDGEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O.BrH/c1-4-19(5-2)14-9-10-20(12-14)16(17-3)18-11-13-7-6-8-15(13)21;/h13-15,21H,4-12H2,1-3H3,(H,17,18);1H.
What are the key properties of 3-(diethylamino)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydrobromide?
3-(diethylamino)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydrobromide has a molecular weight of 377.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydrobromide is sourced from PubChem (CID 146091761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).