N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide;hydroiodide

C13H23IN6 — CID 119115570

IUPACN-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCNc1cnccn1)N1CCCC1.I
InChIInChI=1S/C13H22N6.HI/c1-2-15-13(19-9-3-4-10-19)18-8-7-17-12-11-14-5-6-16-12;/h5-6,11H,2-4,7-10H2,1H3,(H,15,18)(H,16,17);1H
InChIKeyDQVLPERSGBGCRN-UHFFFAOYSA-N
MW390.27 g/mol
LogP1.57
Rot. Bonds5

About N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide;hydroiodide

N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 119115570) has the molecular formula C13H23IN6 and a molecular weight of 390.27 g/mol. Its IUPAC name is N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID119115570
Molecular FormulaC13H23IN6
Molecular Weight390.27 g/mol
Exact Mass390.10
IUPAC NameN-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCNc1cnccn1)N1CCCC1.I
InChIInChI=1S/C13H22N6.HI/c1-2-15-13(19-9-3-4-10-19)18-8-7-17-12-11-14-5-6-16-12;/h5-6,11H,2-4,7-10H2,1H3,(H,15,18)(H,16,17);1H
InChIKeyDQVLPERSGBGCRN-UHFFFAOYSA-N
XLogP1.57
TPSA65.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 119145308
N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119144359
N-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide
CID 119115876
N-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide
CID 119115877
N'-[2-(tert-butylamino)ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 111758730
N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 110956103
N-ethyl-4-pyridin-2-yl-N'-[4-(pyridin-2-ylamino)butyl]piperazine-1-carboximidamide;hydroiodide
CID 111219166
N-ethyl-N'-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956251
methyl 1-[N-ethyl-N'-[4-(pyridin-2-ylamino)butyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252134
N-ethyl-N'-[2-(pyridin-2-ylamino)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119145145
N-ethyl-3,3-dimethyl-N'-[4-(pyridin-2-ylamino)butyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738921
N-ethyl-N'-[4-(pyridin-2-ylamino)butyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110947287

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide;hydroiodide (CID 119115570) is N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCNc1cnccn1)N1CCCC1.I.
What is the InChIKey of N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is DQVLPERSGBGCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6.HI/c1-2-15-13(19-9-3-4-10-19)18-8-7-17-12-11-14-5-6-16-12;/h5-6,11H,2-4,7-10H2,1H3,(H,15,18)(H,16,17);1H.
What are the key properties of N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 390.27 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119115570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).