3-ethyl-2H-pyridine-1-carboximidamide

C8H13N3 — CID 123475756

IUPAC3-ethyl-2H-pyridine-1-carboximidamide
SMILES[H]/N=C(\N)N1C=CC=C(CC)C1
InChIInChI=1S/C8H13N3/c1-2-7-4-3-5-11(6-7)8(9)10/h3-5H,2,6H2,1H3,(H3,9,10)
InChIKeyKMTUTLOIVDBWAD-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.05
Rot. Bonds1

About 3-ethyl-2H-pyridine-1-carboximidamide

3-ethyl-2H-pyridine-1-carboximidamide (PubChem CID 123475756) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-ethyl-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound Name3-ethyl-2H-pyridine-1-carboximidamide
PubChem CID123475756
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name3-ethyl-2H-pyridine-1-carboximidamide
SMILES[H]/N=C(\N)N1C=CC=C(CC)C1
InChIInChI=1S/C8H13N3/c1-2-7-4-3-5-11(6-7)8(9)10/h3-5H,2,6H2,1H3,(H3,9,10)
InChIKeyKMTUTLOIVDBWAD-UHFFFAOYSA-N
XLogP1.05
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
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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Related Compounds

1-(2-Imino-4,5-dimethyl-1-pyridinyl)ethenamine
CID 137532728
4,5-bis(ethenyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 145110941
1-carbamimidoyl-3-[2-(1,2-dimethyl-2H-pyridin-3-yl)ethyl]-1,3-dimethylguanidine
CID 145607036
(5-Methyl-2-methylidene-1-pyridinyl)methanimine
CID 155372104
3-Ethyl-1-methylpyridin-2-imine
CID 174267832

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2H-pyridine-1-carboximidamide?
The IUPAC name of 3-ethyl-2H-pyridine-1-carboximidamide (CID 123475756) is 3-ethyl-2H-pyridine-1-carboximidamide.
What is the SMILES notation for 3-ethyl-2H-pyridine-1-carboximidamide?
The canonical SMILES for 3-ethyl-2H-pyridine-1-carboximidamide is [H]/N=C(\N)N1C=CC=C(CC)C1.
What is the InChIKey of 3-ethyl-2H-pyridine-1-carboximidamide?
The InChIKey is KMTUTLOIVDBWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-7-4-3-5-11(6-7)8(9)10/h3-5H,2,6H2,1H3,(H3,9,10).
What are the key properties of 3-ethyl-2H-pyridine-1-carboximidamide?
3-ethyl-2H-pyridine-1-carboximidamide has a molecular weight of 151.21 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 123475756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).