3-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide

C12H21N3O — CID 66397923

IUPAC3-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCc1ccn(C)c1
InChIInChI=1S/C12H21N3O/c1-3-6-14-12(16)4-7-13-9-11-5-8-15(2)10-11/h5,8,10,13H,3-4,6-7,9H2,1-2H3,(H,14,16)
InChIKeyBKUFVNNWNZFELX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.03
Rot. Bonds7

About 3-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide

3-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide (PubChem CID 66397923) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
PubChem CID66397923
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCc1ccn(C)c1
InChIInChI=1S/C12H21N3O/c1-3-6-14-12(16)4-7-13-9-11-5-8-15(2)10-11/h5,8,10,13H,3-4,6-7,9H2,1-2H3,(H,14,16)
InChIKeyBKUFVNNWNZFELX-UHFFFAOYSA-N
XLogP1.03
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.03
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-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 112547870
N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 110782459
2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
CID 66397673
3-[(3-chloro-4-methylphenyl)methylamino]-N-propylpropanamide
CID 106816742
N-butyl-2-(1-methylpyrrol-3-yl)acetamide
CID 110768899
N-propyl-3-[(4-trimethylsilylphenyl)methylamino]propanamide
CID 103437737
N-butan-2-yl-3-[(1-propylpyrrol-3-yl)methylamino]propanamide
CID 66415755
3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide
CID 66443625
2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 130478299
4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 106813362
3-[(3,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
CID 61061288
N-[(1-methylpyrrol-3-yl)methyl]-4-(propan-2-ylamino)butanamide
CID 114182663

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide?
The IUPAC name of 3-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide (CID 66397923) is 3-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide?
The canonical SMILES for 3-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide is CCCNC(=O)CCNCc1ccn(C)c1.
What is the InChIKey of 3-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide?
The InChIKey is BKUFVNNWNZFELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-6-14-12(16)4-7-13-9-11-5-8-15(2)10-11/h5,8,10,13H,3-4,6-7,9H2,1-2H3,(H,14,16).
What are the key properties of 3-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide?
3-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide has a molecular weight of 223.32 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 66397923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).