4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide

C15H25N3O — CID 79104025

IUPAC4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide
SMILESCCNC(c1ccn(CCCC(=O)NC)c1)C1CC1
InChIInChI=1S/C15H25N3O/c1-3-17-15(12-6-7-12)13-8-10-18(11-13)9-4-5-14(19)16-2/h8,10-12,15,17H,3-7,9H2,1-2H3,(H,16,19)
InChIKeyITBCRSUTWOPNPZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.07
Rot. Bonds8

About 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide

4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide (PubChem CID 79104025) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide.

Molecular Properties

Compound Name4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide
PubChem CID79104025
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide
SMILESCCNC(c1ccn(CCCC(=O)NC)c1)C1CC1
InChIInChI=1S/C15H25N3O/c1-3-17-15(12-6-7-12)13-8-10-18(11-13)9-4-5-14(19)16-2/h8,10-12,15,17H,3-7,9H2,1-2H3,(H,16,19)
InChIKeyITBCRSUTWOPNPZ-UHFFFAOYSA-N
XLogP2.07
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]butanoate
CID 79103936
4-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-N-methylbutanamide
CID 79105157
4-[3-(1-hydroxypropyl)pyrrol-1-yl]-N-methylbutanamide
CID 79104597
4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide
CID 79102812
N-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide
CID 79105677
4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol
CID 79104467
1-[2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]ethyl]pyridin-2-one
CID 82899373
3-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide
CID 79103501
N-methyl-4-(3-propanoylpyrrol-1-yl)butanamide
CID 79098745
N-[cyclopropyl-[1-(2-methylpentyl)pyrrol-3-yl]methyl]ethanamine
CID 79103410
N-[cyclopropyl-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]methyl]ethanamine
CID 79103588
N-[cyclopropyl-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 107045583

Frequently Asked Questions

What is the IUPAC name of 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide?
The IUPAC name of 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide (CID 79104025) is 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide.
What is the SMILES notation for 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide?
The canonical SMILES for 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide is CCNC(c1ccn(CCCC(=O)NC)c1)C1CC1.
What is the InChIKey of 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide?
The InChIKey is ITBCRSUTWOPNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-17-15(12-6-7-12)13-8-10-18(11-13)9-4-5-14(19)16-2/h8,10-12,15,17H,3-7,9H2,1-2H3,(H,16,19).
What are the key properties of 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide?
4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide has a molecular weight of 263.38 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide is sourced from PubChem (CID 79104025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).