(2R)-2-pyrrolidin-1-ylbutanimidamide

C8H17N3 — CID 156896295

IUPAC(2R)-2-pyrrolidin-1-ylbutanimidamide
SMILES[H]/N=C(\N)[C@@H](CC)N1CCCC1
InChIInChI=1S/C8H17N3/c1-2-7(8(9)10)11-5-3-4-6-11/h7H,2-6H2,1H3,(H3,9,10)/t7-/m1/s1
InChIKeyYVUVEMLTOMSIGW-SSDOTTSWSA-N
MW155.25 g/mol
LogP0.80
Rot. Bonds3

About (2R)-2-pyrrolidin-1-ylbutanimidamide

(2R)-2-pyrrolidin-1-ylbutanimidamide (PubChem CID 156896295) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is (2R)-2-pyrrolidin-1-ylbutanimidamide.

Molecular Properties

Compound Name(2R)-2-pyrrolidin-1-ylbutanimidamide
PubChem CID156896295
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name(2R)-2-pyrrolidin-1-ylbutanimidamide
SMILES[H]/N=C(\N)[C@@H](CC)N1CCCC1
InChIInChI=1S/C8H17N3/c1-2-7(8(9)10)11-5-3-4-6-11/h7H,2-6H2,1H3,(H3,9,10)/t7-/m1/s1
InChIKeyYVUVEMLTOMSIGW-SSDOTTSWSA-N
XLogP0.80
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.80
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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-pyrrolidin-1-ylbutanimidamide?
The IUPAC name of (2R)-2-pyrrolidin-1-ylbutanimidamide (CID 156896295) is (2R)-2-pyrrolidin-1-ylbutanimidamide.
What is the SMILES notation for (2R)-2-pyrrolidin-1-ylbutanimidamide?
The canonical SMILES for (2R)-2-pyrrolidin-1-ylbutanimidamide is [H]/N=C(\N)[C@@H](CC)N1CCCC1.
What is the InChIKey of (2R)-2-pyrrolidin-1-ylbutanimidamide?
The InChIKey is YVUVEMLTOMSIGW-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17N3/c1-2-7(8(9)10)11-5-3-4-6-11/h7H,2-6H2,1H3,(H3,9,10)/t7-/m1/s1.
What are the key properties of (2R)-2-pyrrolidin-1-ylbutanimidamide?
(2R)-2-pyrrolidin-1-ylbutanimidamide has a molecular weight of 155.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-pyrrolidin-1-ylbutanimidamide is sourced from PubChem (CID 156896295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).