5-amino-N-[2-(3H-pyrrol-4-yl)ethyl]pentanamide

C11H19N3O — CID 147982421

IUPAC5-amino-N-[2-(3H-pyrrol-4-yl)ethyl]pentanamide
SMILESNCCCCC(=O)NCCC1=CN=CC1
InChIInChI=1S/C11H19N3O/c12-6-2-1-3-11(15)14-8-5-10-4-7-13-9-10/h7,9H,1-6,8,12H2,(H,14,15)
InChIKeyITMCOSIJFOTHDX-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.98
Rot. Bonds7

About 5-amino-N-[2-(3H-pyrrol-4-yl)ethyl]pentanamide

5-amino-N-[2-(3H-pyrrol-4-yl)ethyl]pentanamide (PubChem CID 147982421) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-amino-N-[2-(3H-pyrrol-4-yl)ethyl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[2-(3H-pyrrol-4-yl)ethyl]pentanamide
PubChem CID147982421
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-amino-N-[2-(3H-pyrrol-4-yl)ethyl]pentanamide
SMILESNCCCCC(=O)NCCC1=CN=CC1
InChIInChI=1S/C11H19N3O/c12-6-2-1-3-11(15)14-8-5-10-4-7-13-9-10/h7,9H,1-6,8,12H2,(H,14,15)
InChIKeyITMCOSIJFOTHDX-UHFFFAOYSA-N
XLogP0.98
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.98
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

3,3-dimethyl-N-(3H-pyrrol-4-ylmethyl)butanamide
CID 58710755
N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 59561910
4-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]butanamide
CID 123553028
3-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]propanamide
CID 123749557
4-amino-N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]butanamide
CID 124017053
4-amino-N-[(E)-4-(ethylideneamino)-3-methylbut-3-enyl]butanamide
CID 144920807
N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide
CID 146699889
4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 146841645
3-(diaminomethylideneamino)-N-[2-(3H-pyrrol-4-yl)ethyl]propanamide
CID 147315077
4-(diaminomethylideneamino)-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 148211035
6-amino-N-[2-(3H-pyrrol-4-yl)ethyl]hexanamide
CID 149138375
2,2-dimethyl-N-(3H-pyrrol-4-ylmethyl)propanamide
CID 159070362

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(3H-pyrrol-4-yl)ethyl]pentanamide?
The IUPAC name of 5-amino-N-[2-(3H-pyrrol-4-yl)ethyl]pentanamide (CID 147982421) is 5-amino-N-[2-(3H-pyrrol-4-yl)ethyl]pentanamide.
What is the SMILES notation for 5-amino-N-[2-(3H-pyrrol-4-yl)ethyl]pentanamide?
The canonical SMILES for 5-amino-N-[2-(3H-pyrrol-4-yl)ethyl]pentanamide is NCCCCC(=O)NCCC1=CN=CC1.
What is the InChIKey of 5-amino-N-[2-(3H-pyrrol-4-yl)ethyl]pentanamide?
The InChIKey is ITMCOSIJFOTHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c12-6-2-1-3-11(15)14-8-5-10-4-7-13-9-10/h7,9H,1-6,8,12H2,(H,14,15).
What are the key properties of 5-amino-N-[2-(3H-pyrrol-4-yl)ethyl]pentanamide?
5-amino-N-[2-(3H-pyrrol-4-yl)ethyl]pentanamide has a molecular weight of 209.29 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(3H-pyrrol-4-yl)ethyl]pentanamide is sourced from PubChem (CID 147982421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).