3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide

C7H14N4 — CID 22325991

IUPAC3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide
SMILES[H]/N=C(\N)N1CC=C(CCN)C1
InChIInChI=1S/C7H14N4/c8-3-1-6-2-4-11(5-6)7(9)10/h2H,1,3-5,8H2,(H3,9,10)
InChIKeyYDRVFCVPWICTOV-UHFFFAOYSA-N
MW154.22 g/mol
LogP-0.53
Rot. Bonds2

About 3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide

3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide (PubChem CID 22325991) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide
PubChem CID22325991
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide
SMILES[H]/N=C(\N)N1CC=C(CCN)C1
InChIInChI=1S/C7H14N4/c8-3-1-6-2-4-11(5-6)7(9)10/h2H,1,3-5,8H2,(H3,9,10)
InChIKeyYDRVFCVPWICTOV-UHFFFAOYSA-N
XLogP-0.53
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide?
The IUPAC name of 3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide (CID 22325991) is 3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide.
What is the SMILES notation for 3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide?
The canonical SMILES for 3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide is [H]/N=C(\N)N1CC=C(CCN)C1.
What is the InChIKey of 3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide?
The InChIKey is YDRVFCVPWICTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c8-3-1-6-2-4-11(5-6)7(9)10/h2H,1,3-5,8H2,(H3,9,10).
What are the key properties of 3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide?
3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide has a molecular weight of 154.22 g/mol, XLogP of -0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide is sourced from PubChem (CID 22325991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).