(2S)-1-methylpyrrolidine-2-carboximidamide

C6H13N3 — CID 58238311

IUPAC(2S)-1-methylpyrrolidine-2-carboximidamide
SMILES[H]/N=C(\N)[C@@H]1CCCN1C
InChIInChI=1S/C6H13N3/c1-9-4-2-3-5(9)6(7)8/h5H,2-4H2,1H3,(H3,7,8)/t5-/m0/s1
InChIKeyVUTXCIIMQDNDTQ-YFKPBYRVSA-N
MW127.19 g/mol
LogP0.02
Rot. Bonds1

About (2S)-1-methylpyrrolidine-2-carboximidamide

(2S)-1-methylpyrrolidine-2-carboximidamide (PubChem CID 58238311) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is (2S)-1-methylpyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name(2S)-1-methylpyrrolidine-2-carboximidamide
PubChem CID58238311
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name(2S)-1-methylpyrrolidine-2-carboximidamide
SMILES[H]/N=C(\N)[C@@H]1CCCN1C
InChIInChI=1S/C6H13N3/c1-9-4-2-3-5(9)6(7)8/h5H,2-4H2,1H3,(H3,7,8)/t5-/m0/s1
InChIKeyVUTXCIIMQDNDTQ-YFKPBYRVSA-N
XLogP0.02
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.02
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 (2S)-1-methylpyrrolidine-2-carboximidamide?
The IUPAC name of (2S)-1-methylpyrrolidine-2-carboximidamide (CID 58238311) is (2S)-1-methylpyrrolidine-2-carboximidamide.
What is the SMILES notation for (2S)-1-methylpyrrolidine-2-carboximidamide?
The canonical SMILES for (2S)-1-methylpyrrolidine-2-carboximidamide is [H]/N=C(\N)[C@@H]1CCCN1C.
What is the InChIKey of (2S)-1-methylpyrrolidine-2-carboximidamide?
The InChIKey is VUTXCIIMQDNDTQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13N3/c1-9-4-2-3-5(9)6(7)8/h5H,2-4H2,1H3,(H3,7,8)/t5-/m0/s1.
What are the key properties of (2S)-1-methylpyrrolidine-2-carboximidamide?
(2S)-1-methylpyrrolidine-2-carboximidamide has a molecular weight of 127.19 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methylpyrrolidine-2-carboximidamide is sourced from PubChem (CID 58238311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).