5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide

C12H21N3O — CID 106416804

IUPAC5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide
SMILESCC(N)CCCC(=O)NCc1cccn1C
InChIInChI=1S/C12H21N3O/c1-10(13)5-3-7-12(16)14-9-11-6-4-8-15(11)2/h4,6,8,10H,3,5,7,9,13H2,1-2H3,(H,14,16)
InChIKeyMVUKRYGCBZELMJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.16
Rot. Bonds6

About 5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide

5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide (PubChem CID 106416804) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide.

Molecular Properties

Compound Name5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide
PubChem CID106416804
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide
SMILESCC(N)CCCC(=O)NCc1cccn1C
InChIInChI=1S/C12H21N3O/c1-10(13)5-3-7-12(16)14-9-11-6-4-8-15(11)2/h4,6,8,10H,3,5,7,9,13H2,1-2H3,(H,14,16)
InChIKeyMVUKRYGCBZELMJ-UHFFFAOYSA-N
XLogP1.16
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide
CID 106423340
N-[(1-methylpyrrol-2-yl)methyl]-4-(propan-2-ylamino)butanamide
CID 114186109
5-amino-N-[(2-methylpyrazol-3-yl)methyl]hexanamide
CID 82852042
4-(2-aminoethyl)-5,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]hexanamide
CID 106416885
ethyl 4-[(1-methylpyrrol-2-yl)methylamino]-4-oxobutanoate
CID 103713412
5-amino-N-[(1-methylpyrrol-3-yl)methyl]hexanamide
CID 106390854
2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 106416598
2-amino-N-[(1-methylpyrrol-2-yl)methyl]pent-4-enamide
CID 106416709
2-methyl-3-[(1-methylpyrrol-2-yl)methylamino]-3-oxopropanoic acid
CID 106423129
(2S)-2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-phenylacetamide
CID 114186160
5-[(3R)-dithiolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]pentanamide
CID 95990301
5-[(3S)-dithiolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]pentanamide
CID 95990302

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide?
The IUPAC name of 5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide (CID 106416804) is 5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide.
What is the SMILES notation for 5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide?
The canonical SMILES for 5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide is CC(N)CCCC(=O)NCc1cccn1C.
What is the InChIKey of 5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide?
The InChIKey is MVUKRYGCBZELMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(13)5-3-7-12(16)14-9-11-6-4-8-15(11)2/h4,6,8,10H,3,5,7,9,13H2,1-2H3,(H,14,16).
What are the key properties of 5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide?
5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide has a molecular weight of 223.32 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide is sourced from PubChem (CID 106416804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).