N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide

C19H29N3O — CID 119139796

IUPACN-(2,2-dimethylcyclopropyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(/NC1CC1(C)C)N1CCC(COCc2ccccc2)C1
InChIInChI=1S/C19H29N3O/c1-19(2)11-17(19)21-18(20-3)22-10-9-16(12-22)14-23-13-15-7-5-4-6-8-15/h4-8,16-17H,9-14H2,1-3H3,(H,20,21)
InChIKeyXTWQCTLXWBYBHA-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.90
Rot. Bonds5

About N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide

N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide (PubChem CID 119139796) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
PubChem CID119139796
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-(2,2-dimethylcyclopropyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(/NC1CC1(C)C)N1CCC(COCc2ccccc2)C1
InChIInChI=1S/C19H29N3O/c1-19(2)11-17(19)21-18(20-3)22-10-9-16(12-22)14-23-13-15-7-5-4-6-8-15/h4-8,16-17H,9-14H2,1-3H3,(H,20,21)
InChIKeyXTWQCTLXWBYBHA-UHFFFAOYSA-N
XLogP2.90
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.90
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-ethyl-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111525711
N-(2-methoxyethyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111526973
N'-methyl-N-[(1-phenylcyclopropyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111527517
N-[[2-(methoxymethyl)phenyl]methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111525681
N-(2-ethylbutyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111985276
N-[(4-methoxyphenyl)methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111526725
N-[[4-(ethoxymethyl)phenyl]methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526281
N-[[4-(dimethylamino)phenyl]methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526218
N'-methyl-3-(phenylmethoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111525610
N-(3-ethoxypropyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526037
N-(4-ethoxybutyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111525695
N'-methyl-3-(phenylmethoxymethyl)-N-(4-pyrrolidin-1-ylbutyl)pyrrolidine-1-carboximidamide
CID 111526016

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide (CID 119139796) is N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide is C/N=C(/NC1CC1(C)C)N1CCC(COCc2ccccc2)C1.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide?
The InChIKey is XTWQCTLXWBYBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-19(2)11-17(19)21-18(20-3)22-10-9-16(12-22)14-23-13-15-7-5-4-6-8-15/h4-8,16-17H,9-14H2,1-3H3,(H,20,21).
What are the key properties of N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide?
N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide has a molecular weight of 315.46 g/mol, XLogP of 2.90, 5 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'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 119139796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).