2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide

C14H25N3O — CID 66401260

IUPAC2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1cccc1CNCC(C)C
InChIInChI=1S/C14H25N3O/c1-4-7-16-14(18)11-17-8-5-6-13(17)10-15-9-12(2)3/h5-6,8,12,15H,4,7,9-11H2,1-3H3,(H,16,18)
InChIKeyQZSCFCBCBMLYBA-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.76
Rot. Bonds8

About 2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide

2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide (PubChem CID 66401260) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide
PubChem CID66401260
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1cccc1CNCC(C)C
InChIInChI=1S/C14H25N3O/c1-4-7-16-14(18)11-17-8-5-6-13(17)10-15-9-12(2)3/h5-6,8,12,15H,4,7,9-11H2,1-3H3,(H,16,18)
InChIKeyQZSCFCBCBMLYBA-UHFFFAOYSA-N
XLogP1.76
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide
CID 66402131
2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(3-methylbutyl)acetamide
CID 66402133
N-pentan-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66401184
N-pentan-3-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66402553
3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide
CID 66443625
N-ethyl-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
CID 66401597
2-[2-(ethylaminomethyl)pyrrol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 66402539
N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402920
N-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66401192
5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol
CID 66402617
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402341
2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide
CID 79106315

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide?
The IUPAC name of 2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide (CID 66401260) is 2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide is CCCNC(=O)Cn1cccc1CNCC(C)C.
What is the InChIKey of 2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide?
The InChIKey is QZSCFCBCBMLYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-7-16-14(18)11-17-8-5-6-13(17)10-15-9-12(2)3/h5-6,8,12,15H,4,7,9-11H2,1-3H3,(H,16,18).
What are the key properties of 2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide?
2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide has a molecular weight of 251.37 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide is sourced from PubChem (CID 66401260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).