3-ethyl-2,3-dihydropyridine-6-carboximidamide

C8H13N3 — CID 123563688

IUPAC3-ethyl-2,3-dihydropyridine-6-carboximidamide
SMILES[H]/N=C(\N)C1=NCC(CC)C=C1
InChIInChI=1S/C8H13N3/c1-2-6-3-4-7(8(9)10)11-5-6/h3-4,6H,2,5H2,1H3,(H3,9,10)
InChIKeyPTKSHUGSCUYDTL-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.96
Rot. Bonds2

About 3-ethyl-2,3-dihydropyridine-6-carboximidamide

3-ethyl-2,3-dihydropyridine-6-carboximidamide (PubChem CID 123563688) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-ethyl-2,3-dihydropyridine-6-carboximidamide.

Molecular Properties

Compound Name3-ethyl-2,3-dihydropyridine-6-carboximidamide
PubChem CID123563688
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name3-ethyl-2,3-dihydropyridine-6-carboximidamide
SMILES[H]/N=C(\N)C1=NCC(CC)C=C1
InChIInChI=1S/C8H13N3/c1-2-6-3-4-7(8(9)10)11-5-6/h3-4,6H,2,5H2,1H3,(H3,9,10)
InChIKeyPTKSHUGSCUYDTL-UHFFFAOYSA-N
XLogP0.96
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.96
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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Related Compounds

N-[(Z)-2-methylhex-4-en-3-ylidene]methanimidamide
CID 88580454
4-Methyl-3,4-dihydroazepin-2-imine
CID 90799466
6-(3-Methyl-2,3-dihydropyridin-6-yl)-3,4-dihydropyridin-2-amine
CID 135233044
4-methyl-N-propan-2-ylidenecyclohexa-2,4-diene-1-carboximidamide
CID 144638111
2-(3-Methyl-2,3-dihydropyridin-6-yl)ethanamine
CID 153259482
(2S)-2-ethyl-2,3-dihydropyridine-6-carboximidamide
CID 156047017
3-Ethyl-6-methyl-2,3-dihydropyridin-2-amine
CID 156232545
(Z)-N'-carbamimidoyl-2-(2-methylbutylimino)pent-3-enimidamide
CID 173535376

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3-dihydropyridine-6-carboximidamide?
The IUPAC name of 3-ethyl-2,3-dihydropyridine-6-carboximidamide (CID 123563688) is 3-ethyl-2,3-dihydropyridine-6-carboximidamide.
What is the SMILES notation for 3-ethyl-2,3-dihydropyridine-6-carboximidamide?
The canonical SMILES for 3-ethyl-2,3-dihydropyridine-6-carboximidamide is [H]/N=C(\N)C1=NCC(CC)C=C1.
What is the InChIKey of 3-ethyl-2,3-dihydropyridine-6-carboximidamide?
The InChIKey is PTKSHUGSCUYDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-6-3-4-7(8(9)10)11-5-6/h3-4,6H,2,5H2,1H3,(H3,9,10).
What are the key properties of 3-ethyl-2,3-dihydropyridine-6-carboximidamide?
3-ethyl-2,3-dihydropyridine-6-carboximidamide has a molecular weight of 151.21 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,3-dihydropyridine-6-carboximidamide is sourced from PubChem (CID 123563688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).