N'-methylpyrrolidine-2-carboximidamide

C6H13N3 — CID 19697067

IUPACN'-methylpyrrolidine-2-carboximidamide
SMILESC/N=C(\N)C1CCCN1
InChIInChI=1S/C6H13N3/c1-8-6(7)5-3-2-4-9-5/h5,9H,2-4H2,1H3,(H2,7,8)
InChIKeyZXUFYUKCKQAWSH-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.27
Rot. Bonds1

About N'-methylpyrrolidine-2-carboximidamide

N'-methylpyrrolidine-2-carboximidamide (PubChem CID 19697067) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N'-methylpyrrolidine-2-carboximidamide.

Molecular Properties

Compound NameN'-methylpyrrolidine-2-carboximidamide
PubChem CID19697067
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN'-methylpyrrolidine-2-carboximidamide
SMILESC/N=C(\N)C1CCCN1
InChIInChI=1S/C6H13N3/c1-8-6(7)5-3-2-4-9-5/h5,9H,2-4H2,1H3,(H2,7,8)
InChIKeyZXUFYUKCKQAWSH-UHFFFAOYSA-N
XLogP-0.27
TPSA50.41 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 ≤ 5-0.27
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 N'-methylpyrrolidine-2-carboximidamide?
The IUPAC name of N'-methylpyrrolidine-2-carboximidamide (CID 19697067) is N'-methylpyrrolidine-2-carboximidamide.
What is the SMILES notation for N'-methylpyrrolidine-2-carboximidamide?
The canonical SMILES for N'-methylpyrrolidine-2-carboximidamide is C/N=C(\N)C1CCCN1.
What is the InChIKey of N'-methylpyrrolidine-2-carboximidamide?
The InChIKey is ZXUFYUKCKQAWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-8-6(7)5-3-2-4-9-5/h5,9H,2-4H2,1H3,(H2,7,8).
What are the key properties of N'-methylpyrrolidine-2-carboximidamide?
N'-methylpyrrolidine-2-carboximidamide has a molecular weight of 127.19 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylpyrrolidine-2-carboximidamide is sourced from PubChem (CID 19697067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).