N'-[(3S,5S)-1-ethyl-5-(hydroxymethyl)pyrrolidin-3-yl]propanimidamide

C10H21N3O — CID 178170789

IUPACN'-[(3S,5S)-1-ethyl-5-(hydroxymethyl)pyrrolidin-3-yl]propanimidamide
SMILESCC/C(N)=N\[C@H]1C[C@@H](CO)N(CC)C1
InChIInChI=1S/C10H21N3O/c1-3-10(11)12-8-5-9(7-14)13(4-2)6-8/h8-9,14H,3-7H2,1-2H3,(H2,11,12)/t8-,9-/m0/s1
InChIKeyRRYQVERNYUSADW-IUCAKERBSA-N
MW199.30 g/mol
LogP0.21
Rot. Bonds4

About N'-[(3S,5S)-1-ethyl-5-(hydroxymethyl)pyrrolidin-3-yl]propanimidamide

N'-[(3S,5S)-1-ethyl-5-(hydroxymethyl)pyrrolidin-3-yl]propanimidamide (PubChem CID 178170789) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N'-[(3S,5S)-1-ethyl-5-(hydroxymethyl)pyrrolidin-3-yl]propanimidamide.

Molecular Properties

Compound NameN'-[(3S,5S)-1-ethyl-5-(hydroxymethyl)pyrrolidin-3-yl]propanimidamide
PubChem CID178170789
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN'-[(3S,5S)-1-ethyl-5-(hydroxymethyl)pyrrolidin-3-yl]propanimidamide
SMILESCC/C(N)=N\[C@H]1C[C@@H](CO)N(CC)C1
InChIInChI=1S/C10H21N3O/c1-3-10(11)12-8-5-9(7-14)13(4-2)6-8/h8-9,14H,3-7H2,1-2H3,(H2,11,12)/t8-,9-/m0/s1
InChIKeyRRYQVERNYUSADW-IUCAKERBSA-N
XLogP0.21
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.21
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

2-[2-(Hydroxymethyl)pyrrolidin-1-yl]ethanimidamide
CID 61407196
4-[2-(Hydroxymethyl)pyrrolidin-1-yl]butanimidamide
CID 61407244
3-[2-(Hydroxymethyl)pyrrolidin-1-yl]propanimidamide
CID 61407246
3-[2-(Hydroxymethyl)pyrrolidin-1-yl]pentanimidamide
CID 61407291
3-[2-(Hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide
CID 61407292
3-[2-(Hydroxymethyl)pyrrolidin-1-yl]butanimidamide
CID 61407293
N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide
CID 61407717
N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pentanimidamide
CID 61407719
N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide
CID 61407767
5-[2-(Hydroxymethyl)pyrrolidin-1-yl]pentanimidamide
CID 61524561
2-[2-(Hydroxymethyl)pyrrolidin-1-yl]propanimidamide
CID 61691640
N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide
CID 61692048

Frequently Asked Questions

What is the IUPAC name of N'-[(3S,5S)-1-ethyl-5-(hydroxymethyl)pyrrolidin-3-yl]propanimidamide?
The IUPAC name of N'-[(3S,5S)-1-ethyl-5-(hydroxymethyl)pyrrolidin-3-yl]propanimidamide (CID 178170789) is N'-[(3S,5S)-1-ethyl-5-(hydroxymethyl)pyrrolidin-3-yl]propanimidamide.
What is the SMILES notation for N'-[(3S,5S)-1-ethyl-5-(hydroxymethyl)pyrrolidin-3-yl]propanimidamide?
The canonical SMILES for N'-[(3S,5S)-1-ethyl-5-(hydroxymethyl)pyrrolidin-3-yl]propanimidamide is CC/C(N)=N\[C@H]1C[C@@H](CO)N(CC)C1.
What is the InChIKey of N'-[(3S,5S)-1-ethyl-5-(hydroxymethyl)pyrrolidin-3-yl]propanimidamide?
The InChIKey is RRYQVERNYUSADW-IUCAKERBSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-10(11)12-8-5-9(7-14)13(4-2)6-8/h8-9,14H,3-7H2,1-2H3,(H2,11,12)/t8-,9-/m0/s1.
What are the key properties of N'-[(3S,5S)-1-ethyl-5-(hydroxymethyl)pyrrolidin-3-yl]propanimidamide?
N'-[(3S,5S)-1-ethyl-5-(hydroxymethyl)pyrrolidin-3-yl]propanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3S,5S)-1-ethyl-5-(hydroxymethyl)pyrrolidin-3-yl]propanimidamide is sourced from PubChem (CID 178170789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).