6-amino-N-[2-(3H-pyrrol-4-yl)ethyl]hexanamide

C12H21N3O — CID 149138375

IUPAC6-amino-N-[2-(3H-pyrrol-4-yl)ethyl]hexanamide
SMILESNCCCCCC(=O)NCCC1=CN=CC1
InChIInChI=1S/C12H21N3O/c13-7-3-1-2-4-12(16)15-9-6-11-5-8-14-10-11/h8,10H,1-7,9,13H2,(H,15,16)
InChIKeyRGAFPQNCWXZDCN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.37
Rot. Bonds8

About 6-amino-N-[2-(3H-pyrrol-4-yl)ethyl]hexanamide

6-amino-N-[2-(3H-pyrrol-4-yl)ethyl]hexanamide (PubChem CID 149138375) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-amino-N-[2-(3H-pyrrol-4-yl)ethyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[2-(3H-pyrrol-4-yl)ethyl]hexanamide
PubChem CID149138375
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name6-amino-N-[2-(3H-pyrrol-4-yl)ethyl]hexanamide
SMILESNCCCCCC(=O)NCCC1=CN=CC1
InChIInChI=1S/C12H21N3O/c13-7-3-1-2-4-12(16)15-9-6-11-5-8-14-10-11/h8,10H,1-7,9,13H2,(H,15,16)
InChIKeyRGAFPQNCWXZDCN-UHFFFAOYSA-N
XLogP1.37
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.37
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

N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 59561910
N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]acetamide
CID 90940234
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
N-[2-(3H-pyrrol-4-yl)ethyl]cyclohexanecarboxamide
CID 147446179
5-amino-N-[2-(3H-pyrrol-4-yl)ethyl]pentanamide
CID 147982421
4-(diaminomethylideneamino)-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 148211035
N-[2-(3H-pyrrol-4-yl)ethyl]propanamide
CID 159709332

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(3H-pyrrol-4-yl)ethyl]hexanamide?
The IUPAC name of 6-amino-N-[2-(3H-pyrrol-4-yl)ethyl]hexanamide (CID 149138375) is 6-amino-N-[2-(3H-pyrrol-4-yl)ethyl]hexanamide.
What is the SMILES notation for 6-amino-N-[2-(3H-pyrrol-4-yl)ethyl]hexanamide?
The canonical SMILES for 6-amino-N-[2-(3H-pyrrol-4-yl)ethyl]hexanamide is NCCCCCC(=O)NCCC1=CN=CC1.
What is the InChIKey of 6-amino-N-[2-(3H-pyrrol-4-yl)ethyl]hexanamide?
The InChIKey is RGAFPQNCWXZDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c13-7-3-1-2-4-12(16)15-9-6-11-5-8-14-10-11/h8,10H,1-7,9,13H2,(H,15,16).
What are the key properties of 6-amino-N-[2-(3H-pyrrol-4-yl)ethyl]hexanamide?
6-amino-N-[2-(3H-pyrrol-4-yl)ethyl]hexanamide has a molecular weight of 223.32 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(3H-pyrrol-4-yl)ethyl]hexanamide is sourced from PubChem (CID 149138375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).