1-methylpyrrolidine-2-carboximidamide

C6H13N3 — CID 18738464

IUPAC1-methylpyrrolidine-2-carboximidamide
SMILES[H]/N=C(\N)C1CCCN1C
InChIInChI=1S/C6H13N3/c1-9-4-2-3-5(9)6(7)8/h5H,2-4H2,1H3,(H3,7,8)
InChIKeyVUTXCIIMQDNDTQ-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.02
Rot. Bonds1

About 1-methylpyrrolidine-2-carboximidamide

1-methylpyrrolidine-2-carboximidamide (PubChem CID 18738464) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-methylpyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name1-methylpyrrolidine-2-carboximidamide
PubChem CID18738464
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name1-methylpyrrolidine-2-carboximidamide
SMILES[H]/N=C(\N)C1CCCN1C
InChIInChI=1S/C6H13N3/c1-9-4-2-3-5(9)6(7)8/h5H,2-4H2,1H3,(H3,7,8)
InChIKeyVUTXCIIMQDNDTQ-UHFFFAOYSA-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 1-methylpyrrolidine-2-carboximidamide?
The IUPAC name of 1-methylpyrrolidine-2-carboximidamide (CID 18738464) is 1-methylpyrrolidine-2-carboximidamide.
What is the SMILES notation for 1-methylpyrrolidine-2-carboximidamide?
The canonical SMILES for 1-methylpyrrolidine-2-carboximidamide is [H]/N=C(\N)C1CCCN1C.
What is the InChIKey of 1-methylpyrrolidine-2-carboximidamide?
The InChIKey is VUTXCIIMQDNDTQ-UHFFFAOYSA-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).
What are the key properties of 1-methylpyrrolidine-2-carboximidamide?
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 1-methylpyrrolidine-2-carboximidamide is sourced from PubChem (CID 18738464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).