5-amino-N-[(1-methylpyrrol-3-yl)methyl]hexanamide

C12H21N3O — CID 106390854

IUPAC5-amino-N-[(1-methylpyrrol-3-yl)methyl]hexanamide
SMILESCC(N)CCCC(=O)NCc1ccn(C)c1
InChIInChI=1S/C12H21N3O/c1-10(13)4-3-5-12(16)14-8-11-6-7-15(2)9-11/h6-7,9-10H,3-5,8,13H2,1-2H3,(H,14,16)
InChIKeyFYKBNQUPYOCUED-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.16
Rot. Bonds6

About 5-amino-N-[(1-methylpyrrol-3-yl)methyl]hexanamide

5-amino-N-[(1-methylpyrrol-3-yl)methyl]hexanamide (PubChem CID 106390854) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-amino-N-[(1-methylpyrrol-3-yl)methyl]hexanamide.

Molecular Properties

Compound Name5-amino-N-[(1-methylpyrrol-3-yl)methyl]hexanamide
PubChem CID106390854
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-amino-N-[(1-methylpyrrol-3-yl)methyl]hexanamide
SMILESCC(N)CCCC(=O)NCc1ccn(C)c1
InChIInChI=1S/C12H21N3O/c1-10(13)4-3-5-12(16)14-8-11-6-7-15(2)9-11/h6-7,9-10H,3-5,8,13H2,1-2H3,(H,14,16)
InChIKeyFYKBNQUPYOCUED-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-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 106813362
N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 110782459
N-[(1-methylpyrrol-3-yl)methyl]-4-(propan-2-ylamino)butanamide
CID 114182663
5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide
CID 106416804
5-amino-N-(thiophen-3-ylmethyl)hexanamide
CID 82851671
5-amino-N-[(2-methylpyrazol-3-yl)methyl]hexanamide
CID 82852042
3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
CID 110782535
(2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
CID 106390787
N-[(1-methylpyrrol-3-yl)methyl]prop-2-enamide
CID 106390668
(2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 103992330
2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
CID 83621902
4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride
CID 120558836

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1-methylpyrrol-3-yl)methyl]hexanamide?
The IUPAC name of 5-amino-N-[(1-methylpyrrol-3-yl)methyl]hexanamide (CID 106390854) is 5-amino-N-[(1-methylpyrrol-3-yl)methyl]hexanamide.
What is the SMILES notation for 5-amino-N-[(1-methylpyrrol-3-yl)methyl]hexanamide?
The canonical SMILES for 5-amino-N-[(1-methylpyrrol-3-yl)methyl]hexanamide is CC(N)CCCC(=O)NCc1ccn(C)c1.
What is the InChIKey of 5-amino-N-[(1-methylpyrrol-3-yl)methyl]hexanamide?
The InChIKey is FYKBNQUPYOCUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(13)4-3-5-12(16)14-8-11-6-7-15(2)9-11/h6-7,9-10H,3-5,8,13H2,1-2H3,(H,14,16).
What are the key properties of 5-amino-N-[(1-methylpyrrol-3-yl)methyl]hexanamide?
5-amino-N-[(1-methylpyrrol-3-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-3-yl)methyl]hexanamide is sourced from PubChem (CID 106390854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).