N,N-dimethyl-N'-(1H-pyridin-2-ylidenemethyl)aziridine-1-carboximidamide

C11H16N4 — CID 121284502

IUPACN,N-dimethyl-N'-(1H-pyridin-2-ylidenemethyl)aziridine-1-carboximidamide
SMILESCN(C)/C(=N\C=C1C=CC=CN1)N1CC1
InChIInChI=1S/C11H16N4/c1-14(2)11(15-7-8-15)13-9-10-5-3-4-6-12-10/h3-6,9,12H,7-8H2,1-2H3/b10-9?,13-11+
InChIKeyNDGBBEBCHKACEV-RBEUKITRSA-N
MW204.28 g/mol
LogP0.73
Rot. Bonds1

About N,N-dimethyl-N'-(1H-pyridin-2-ylidenemethyl)aziridine-1-carboximidamide

N,N-dimethyl-N'-(1H-pyridin-2-ylidenemethyl)aziridine-1-carboximidamide (PubChem CID 121284502) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is N,N-dimethyl-N'-(1H-pyridin-2-ylidenemethyl)aziridine-1-carboximidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(1H-pyridin-2-ylidenemethyl)aziridine-1-carboximidamide
PubChem CID121284502
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC NameN,N-dimethyl-N'-(1H-pyridin-2-ylidenemethyl)aziridine-1-carboximidamide
SMILESCN(C)/C(=N\C=C1C=CC=CN1)N1CC1
InChIInChI=1S/C11H16N4/c1-14(2)11(15-7-8-15)13-9-10-5-3-4-6-12-10/h3-6,9,12H,7-8H2,1-2H3/b10-9?,13-11+
InChIKeyNDGBBEBCHKACEV-RBEUKITRSA-N
XLogP0.73
TPSA30.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(1H-pyridin-2-ylidenemethyl)aziridine-1-carboximidamide?
The IUPAC name of N,N-dimethyl-N'-(1H-pyridin-2-ylidenemethyl)aziridine-1-carboximidamide (CID 121284502) is N,N-dimethyl-N'-(1H-pyridin-2-ylidenemethyl)aziridine-1-carboximidamide.
What is the SMILES notation for N,N-dimethyl-N'-(1H-pyridin-2-ylidenemethyl)aziridine-1-carboximidamide?
The canonical SMILES for N,N-dimethyl-N'-(1H-pyridin-2-ylidenemethyl)aziridine-1-carboximidamide is CN(C)/C(=N\C=C1C=CC=CN1)N1CC1.
What is the InChIKey of N,N-dimethyl-N'-(1H-pyridin-2-ylidenemethyl)aziridine-1-carboximidamide?
The InChIKey is NDGBBEBCHKACEV-RBEUKITRSA-N. The full InChI is InChI=1S/C11H16N4/c1-14(2)11(15-7-8-15)13-9-10-5-3-4-6-12-10/h3-6,9,12H,7-8H2,1-2H3/b10-9?,13-11+.
What are the key properties of N,N-dimethyl-N'-(1H-pyridin-2-ylidenemethyl)aziridine-1-carboximidamide?
N,N-dimethyl-N'-(1H-pyridin-2-ylidenemethyl)aziridine-1-carboximidamide has a molecular weight of 204.28 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(1H-pyridin-2-ylidenemethyl)aziridine-1-carboximidamide is sourced from PubChem (CID 121284502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).