N-(3-aminopropyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide

C12H21N3O — CID 119407091

IUPACN-(3-aminopropyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCCn1c(C)cc(C(=O)NCCCN)c1C
InChIInChI=1S/C12H21N3O/c1-4-15-9(2)8-11(10(15)3)12(16)14-7-5-6-13/h8H,4-7,13H2,1-3H3,(H,14,16)
InChIKeyVRGDLALNIQATJL-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.20
Rot. Bonds5

About N-(3-aminopropyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide

N-(3-aminopropyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 119407091) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
PubChem CID119407091
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(3-aminopropyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCCn1c(C)cc(C(=O)NCCCN)c1C
InChIInChI=1S/C12H21N3O/c1-4-15-9(2)8-11(10(15)3)12(16)14-7-5-6-13/h8H,4-7,13H2,1-3H3,(H,14,16)
InChIKeyVRGDLALNIQATJL-UHFFFAOYSA-N
XLogP1.20
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]butanoic acid
CID 119353000
3-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanoic acid
CID 119351480
N-[2-(4-aminophenyl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 119548699
1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide
CID 120654873
N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383546
N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577
2-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanoic acid
CID 119349121
1-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-2,5-dimethylpyrrole-3-carboxamide
CID 111480378
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2,2,2-trifluoroethanone
CID 100594421
1-ethyl-2,5-dimethyl-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrole-3-carboxamide
CID 86800562
4-[[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542427
N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
CID 107670534

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide (CID 119407091) is N-(3-aminopropyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide is CCn1c(C)cc(C(=O)NCCCN)c1C.
What is the InChIKey of N-(3-aminopropyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is VRGDLALNIQATJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-15-9(2)8-11(10(15)3)12(16)14-7-5-6-13/h8H,4-7,13H2,1-3H3,(H,14,16).
What are the key properties of N-(3-aminopropyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
N-(3-aminopropyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 119407091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).