3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide

C9H18N4 — CID 59878519

IUPAC3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide
SMILES[H]/N=C(\N)N1CC=C(CCN(C)C)C1
InChIInChI=1S/C9H18N4/c1-12(2)5-3-8-4-6-13(7-8)9(10)11/h4H,3,5-7H2,1-2H3,(H3,10,11)
InChIKeyZGZNZAIHFXOILH-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.07
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide

3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide (PubChem CID 59878519) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide
PubChem CID59878519
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide
SMILES[H]/N=C(\N)N1CC=C(CCN(C)C)C1
InChIInChI=1S/C9H18N4/c1-12(2)5-3-8-4-6-13(7-8)9(10)11/h4H,3,5-7H2,1-2H3,(H3,10,11)
InChIKeyZGZNZAIHFXOILH-UHFFFAOYSA-N
XLogP0.07
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.07
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-Aminobutyl)-N-(3-methyl-2-buten-1-yl)guanidine
CID 117689
N,N-diisopentenylguanidine
CID 129686283
1-[4-[Carbamimidoyl(3-methylbut-2-enyl)amino]butyl]-1-(3-methylbut-2-enyl)guanidine
CID 10001289
3-(2-Aminoethyl)-2,5-dihydropyrrole-1-carboximidamide
CID 22325991
3-[2-(Dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide;yttrium
CID 59878518
3-(2-Aminoethyl)-2,5-dihydropyrrole-1-carboximidamide;yttrium
CID 59878530
[2-(1-Carbamimidoyl-2,5-dihydropyrrol-3-yl)ethylamino]methylidyneoxidanium
CID 90763509
1-[(2E,4Z)-2,4-dimethylhexa-2,4-dienyl]-1-propylguanidine
CID 139324978
Methanamine;2-(1-methanimidoyl-2,5-dihydropyrrol-3-yl)ethanamine
CID 141869089
ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 143657701
N-[(Z)-2-ethylbut-2-enyl]-N-(3-methylbutyl)methanimidamide
CID 154986395
3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide;2-(2,5-dihydro-1H-pyrrol-3-yl)ethanamine;molecular iodine;bis(yttrium)
CID 160314537

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide (CID 59878519) is 3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide is [H]/N=C(\N)N1CC=C(CCN(C)C)C1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide?
The InChIKey is ZGZNZAIHFXOILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-12(2)5-3-8-4-6-13(7-8)9(10)11/h4H,3,5-7H2,1-2H3,(H3,10,11).
What are the key properties of 3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide?
3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide has a molecular weight of 182.27 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide is sourced from PubChem (CID 59878519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).