(3R)-N-ethyl-3-hydroxy-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide

C18H27N3O — CID 111549772

IUPAC(3R)-N-ethyl-3-hydroxy-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC1CCCc2ccccc21)N1CC[C@@H](O)C1
InChIInChI=1S/C18H27N3O/c1-2-19-18(21-11-10-16(22)13-21)20-12-15-8-5-7-14-6-3-4-9-17(14)15/h3-4,6,9,15-16,22H,2,5,7-8,10-13H2,1H3,(H,19,20)/t15?,16-/m1/s1
InChIKeyYASNMMKZCVXOHP-OEMAIJDKSA-N
MW301.43 g/mol
LogP2.14
Rot. Bonds3

About (3R)-N-ethyl-3-hydroxy-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide

(3R)-N-ethyl-3-hydroxy-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide (PubChem CID 111549772) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is (3R)-N-ethyl-3-hydroxy-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name(3R)-N-ethyl-3-hydroxy-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide
PubChem CID111549772
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name(3R)-N-ethyl-3-hydroxy-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC1CCCc2ccccc21)N1CC[C@@H](O)C1
InChIInChI=1S/C18H27N3O/c1-2-19-18(21-11-10-16(22)13-21)20-12-15-8-5-7-14-6-3-4-9-17(14)15/h3-4,6,9,15-16,22H,2,5,7-8,10-13H2,1H3,(H,19,20)/t15?,16-/m1/s1
InChIKeyYASNMMKZCVXOHP-OEMAIJDKSA-N
XLogP2.14
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
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-4-pyrimidin-2-yl-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 111207981
N'-(2,3-dihydro-1H-inden-1-ylmethyl)-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119160110
(3R)-N-ethyl-3-hydroxy-N'-(2-phenylethyl)pyrrolidine-1-carboximidamide
CID 111551224
(3R)-N'-(cyclopropylmethyl)-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111549681
(3R)-N-ethyl-3-hydroxy-N'-[(1-phenylcyclopentyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111550201
(3R)-N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
CID 111550750
(3R)-N'-(3,3-diphenylpropyl)-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111550547
(3R)-N-ethyl-3-hydroxy-N'-[(2-methylphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111549989
ethyl 1-[N'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethylcarbamimidoyl]piperidine-3-carboxylate
CID 110994955
N'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111747371
(3R)-N'-[2-[benzyl(methyl)amino]ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111550409
N'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426137

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-3-hydroxy-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of (3R)-N-ethyl-3-hydroxy-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide (CID 111549772) is (3R)-N-ethyl-3-hydroxy-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for (3R)-N-ethyl-3-hydroxy-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for (3R)-N-ethyl-3-hydroxy-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide is CCN/C(=N\CC1CCCc2ccccc21)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-N-ethyl-3-hydroxy-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide?
The InChIKey is YASNMMKZCVXOHP-OEMAIJDKSA-N. The full InChI is InChI=1S/C18H27N3O/c1-2-19-18(21-11-10-16(22)13-21)20-12-15-8-5-7-14-6-3-4-9-17(14)15/h3-4,6,9,15-16,22H,2,5,7-8,10-13H2,1H3,(H,19,20)/t15?,16-/m1/s1.
What are the key properties of (3R)-N-ethyl-3-hydroxy-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide?
(3R)-N-ethyl-3-hydroxy-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide has a molecular weight of 301.43 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-3-hydroxy-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111549772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).