2-(3-amino-3-methylpyrrolidin-1-yl)-N'-methanimidoyl-2-oxoethanimidamide

C8H15N5O — CID 123598521

IUPAC2-(3-amino-3-methylpyrrolidin-1-yl)-N'-methanimidoyl-2-oxoethanimidamide
SMILES[H]/N=C/N=C(\N)C(=O)N1CCC(C)(N)C1
InChIInChI=1S/C8H15N5O/c1-8(11)2-3-13(4-8)7(14)6(10)12-5-9/h5H,2-4,11H2,1H3,(H3,9,10,12)
InChIKeyAQYKSWDGMPPBMQ-UHFFFAOYSA-N
MW197.24 g/mol
LogP-1.10
Rot. Bonds1

About 2-(3-amino-3-methylpyrrolidin-1-yl)-N'-methanimidoyl-2-oxoethanimidamide

2-(3-amino-3-methylpyrrolidin-1-yl)-N'-methanimidoyl-2-oxoethanimidamide (PubChem CID 123598521) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(3-amino-3-methylpyrrolidin-1-yl)-N'-methanimidoyl-2-oxoethanimidamide.

Molecular Properties

Compound Name2-(3-amino-3-methylpyrrolidin-1-yl)-N'-methanimidoyl-2-oxoethanimidamide
PubChem CID123598521
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name2-(3-amino-3-methylpyrrolidin-1-yl)-N'-methanimidoyl-2-oxoethanimidamide
SMILES[H]/N=C/N=C(\N)C(=O)N1CCC(C)(N)C1
InChIInChI=1S/C8H15N5O/c1-8(11)2-3-13(4-8)7(14)6(10)12-5-9/h5H,2-4,11H2,1H3,(H3,9,10,12)
InChIKeyAQYKSWDGMPPBMQ-UHFFFAOYSA-N
XLogP-1.10
TPSA108.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-3-methylpyrrolidin-1-yl)-N'-methanimidoyl-2-oxoethanimidamide?
The IUPAC name of 2-(3-amino-3-methylpyrrolidin-1-yl)-N'-methanimidoyl-2-oxoethanimidamide (CID 123598521) is 2-(3-amino-3-methylpyrrolidin-1-yl)-N'-methanimidoyl-2-oxoethanimidamide.
What is the SMILES notation for 2-(3-amino-3-methylpyrrolidin-1-yl)-N'-methanimidoyl-2-oxoethanimidamide?
The canonical SMILES for 2-(3-amino-3-methylpyrrolidin-1-yl)-N'-methanimidoyl-2-oxoethanimidamide is [H]/N=C/N=C(\N)C(=O)N1CCC(C)(N)C1.
What is the InChIKey of 2-(3-amino-3-methylpyrrolidin-1-yl)-N'-methanimidoyl-2-oxoethanimidamide?
The InChIKey is AQYKSWDGMPPBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-8(11)2-3-13(4-8)7(14)6(10)12-5-9/h5H,2-4,11H2,1H3,(H3,9,10,12).
What are the key properties of 2-(3-amino-3-methylpyrrolidin-1-yl)-N'-methanimidoyl-2-oxoethanimidamide?
2-(3-amino-3-methylpyrrolidin-1-yl)-N'-methanimidoyl-2-oxoethanimidamide has a molecular weight of 197.24 g/mol, XLogP of -1.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-3-methylpyrrolidin-1-yl)-N'-methanimidoyl-2-oxoethanimidamide is sourced from PubChem (CID 123598521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).