N-(3-amino-3-iminopropyl)-5-ethyliminopyrrolidine-2-carboxamide

C10H19N5O — CID 135480744

IUPACN-(3-amino-3-iminopropyl)-5-ethyliminopyrrolidine-2-carboxamide
SMILES[H]/N=C(\N)CCNC(=O)C1CC/C(=N\CC)N1
InChIInChI=1S/C10H19N5O/c1-2-13-9-4-3-7(15-9)10(16)14-6-5-8(11)12/h7H,2-6H2,1H3,(H3,11,12)(H,13,15)(H,14,16)
InChIKeyCOHNSQTVDSDPTG-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.40
Rot. Bonds5

About N-(3-amino-3-iminopropyl)-5-ethyliminopyrrolidine-2-carboxamide

N-(3-amino-3-iminopropyl)-5-ethyliminopyrrolidine-2-carboxamide (PubChem CID 135480744) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N-(3-amino-3-iminopropyl)-5-ethyliminopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-iminopropyl)-5-ethyliminopyrrolidine-2-carboxamide
PubChem CID135480744
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN-(3-amino-3-iminopropyl)-5-ethyliminopyrrolidine-2-carboxamide
SMILES[H]/N=C(\N)CCNC(=O)C1CC/C(=N\CC)N1
InChIInChI=1S/C10H19N5O/c1-2-13-9-4-3-7(15-9)10(16)14-6-5-8(11)12/h7H,2-6H2,1H3,(H3,11,12)(H,13,15)(H,14,16)
InChIKeyCOHNSQTVDSDPTG-UHFFFAOYSA-N
XLogP-0.40
TPSA103.36 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-iminopropyl)-5-ethyliminopyrrolidine-2-carboxamide?
The IUPAC name of N-(3-amino-3-iminopropyl)-5-ethyliminopyrrolidine-2-carboxamide (CID 135480744) is N-(3-amino-3-iminopropyl)-5-ethyliminopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-iminopropyl)-5-ethyliminopyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-amino-3-iminopropyl)-5-ethyliminopyrrolidine-2-carboxamide is [H]/N=C(\N)CCNC(=O)C1CC/C(=N\CC)N1.
What is the InChIKey of N-(3-amino-3-iminopropyl)-5-ethyliminopyrrolidine-2-carboxamide?
The InChIKey is COHNSQTVDSDPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-2-13-9-4-3-7(15-9)10(16)14-6-5-8(11)12/h7H,2-6H2,1H3,(H3,11,12)(H,13,15)(H,14,16).
What are the key properties of N-(3-amino-3-iminopropyl)-5-ethyliminopyrrolidine-2-carboxamide?
N-(3-amino-3-iminopropyl)-5-ethyliminopyrrolidine-2-carboxamide has a molecular weight of 225.30 g/mol, XLogP of -0.40, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-iminopropyl)-5-ethyliminopyrrolidine-2-carboxamide is sourced from PubChem (CID 135480744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).