N'-methyl-N-(1-pyrrolidin-1-ylethylidene)methanimidamide

C8H15N3 — CID 20674272

IUPACN'-methyl-N-(1-pyrrolidin-1-ylethylidene)methanimidamide
SMILESC/N=C/N=C(\C)N1CCCC1
InChIInChI=1S/C8H15N3/c1-8(10-7-9-2)11-5-3-4-6-11/h7H,3-6H2,1-2H3/b9-7+,10-8+
InChIKeyRWVYDQWGUJGAEM-FIFLTTCUSA-N
MW153.23 g/mol
LogP1.16
Rot. Bonds1

About N'-methyl-N-(1-pyrrolidin-1-ylethylidene)methanimidamide

N'-methyl-N-(1-pyrrolidin-1-ylethylidene)methanimidamide (PubChem CID 20674272) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N'-methyl-N-(1-pyrrolidin-1-ylethylidene)methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(1-pyrrolidin-1-ylethylidene)methanimidamide
PubChem CID20674272
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN'-methyl-N-(1-pyrrolidin-1-ylethylidene)methanimidamide
SMILESC/N=C/N=C(\C)N1CCCC1
InChIInChI=1S/C8H15N3/c1-8(10-7-9-2)11-5-3-4-6-11/h7H,3-6H2,1-2H3/b9-7+,10-8+
InChIKeyRWVYDQWGUJGAEM-FIFLTTCUSA-N
XLogP1.16
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'-methyl-N-(1-pyrrolidin-1-ylethylidene)methanimidamide?
The IUPAC name of N'-methyl-N-(1-pyrrolidin-1-ylethylidene)methanimidamide (CID 20674272) is N'-methyl-N-(1-pyrrolidin-1-ylethylidene)methanimidamide.
What is the SMILES notation for N'-methyl-N-(1-pyrrolidin-1-ylethylidene)methanimidamide?
The canonical SMILES for N'-methyl-N-(1-pyrrolidin-1-ylethylidene)methanimidamide is C/N=C/N=C(\C)N1CCCC1.
What is the InChIKey of N'-methyl-N-(1-pyrrolidin-1-ylethylidene)methanimidamide?
The InChIKey is RWVYDQWGUJGAEM-FIFLTTCUSA-N. The full InChI is InChI=1S/C8H15N3/c1-8(10-7-9-2)11-5-3-4-6-11/h7H,3-6H2,1-2H3/b9-7+,10-8+.
What are the key properties of N'-methyl-N-(1-pyrrolidin-1-ylethylidene)methanimidamide?
N'-methyl-N-(1-pyrrolidin-1-ylethylidene)methanimidamide has a molecular weight of 153.23 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(1-pyrrolidin-1-ylethylidene)methanimidamide is sourced from PubChem (CID 20674272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).