N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide

C17H32N4 — CID 119143055

IUPACN-(2,2-dimethylcyclopropyl)-N'-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide
SMILESCC/N=C(/NC1CC1(C)C)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C17H32N4/c1-4-18-16(19-15-12-17(15,2)3)21-11-8-14(13-21)20-9-6-5-7-10-20/h14-15H,4-13H2,1-3H3,(H,18,19)
InChIKeyCSDRBUZULSSCEW-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.31
Rot. Bonds3

About N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide

N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide (PubChem CID 119143055) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-N'-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide
PubChem CID119143055
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN-(2,2-dimethylcyclopropyl)-N'-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide
SMILESCC/N=C(/NC1CC1(C)C)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C17H32N4/c1-4-18-16(19-15-12-17(15,2)3)21-11-8-14(13-21)20-9-6-5-7-10-20/h14-15H,4-13H2,1-3H3,(H,18,19)
InChIKeyCSDRBUZULSSCEW-UHFFFAOYSA-N
XLogP2.31
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
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

N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 119130051
N'-ethyl-3-pyrrolidin-1-yl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpyrrolidine-1-carboximidamide
CID 109395046
N-amino-N'-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 104887396
ethyl 1-[N-(2,2-dimethylcyclopropyl)-N'-ethylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 119130245
N'-ethyl-N-(2-methylcyclopropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727246
N'-ethyl-3-morpholin-4-yl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpyrrolidine-1-carboximidamide
CID 109405259
N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119156188
N'-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143060
N'-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143190
N-ethyl-N'-(oxan-2-ylmethyl)-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143124
1-(1-cyclopropylpyrrolidin-3-yl)-3-(2,2-dimethylcyclopropyl)-2-ethylguanidine;hydroiodide
CID 119150158
N'-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143243

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide (CID 119143055) is N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide is CC/N=C(/NC1CC1(C)C)N1CCC(N2CCCCC2)C1.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide?
The InChIKey is CSDRBUZULSSCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-4-18-16(19-15-12-17(15,2)3)21-11-8-14(13-21)20-9-6-5-7-10-20/h14-15H,4-13H2,1-3H3,(H,18,19).
What are the key properties of N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide?
N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide has a molecular weight of 292.47 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 119143055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).