3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide

C14H23N3O — CID 66405366

IUPAC3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1ccc(CNC2CC2)c1
InChIInChI=1S/C14H23N3O/c1-11(2)16-14(18)6-8-17-7-5-12(10-17)9-15-13-3-4-13/h5,7,10-11,13,15H,3-4,6,8-9H2,1-2H3,(H,16,18)
InChIKeyWZGQCGOPIMSGPK-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.65
Rot. Bonds7

About 3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide

3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide (PubChem CID 66405366) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide
PubChem CID66405366
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1ccc(CNC2CC2)c1
InChIInChI=1S/C14H23N3O/c1-11(2)16-14(18)6-8-17-7-5-12(10-17)9-15-13-3-4-13/h5,7,10-11,13,15H,3-4,6,8-9H2,1-2H3,(H,16,18)
InChIKeyWZGQCGOPIMSGPK-UHFFFAOYSA-N
XLogP1.65
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]propanamide
CID 66405145
N-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide
CID 66405210
2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide
CID 66404151
N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide
CID 66404152
methyl 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetate
CID 66404148
N-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide
CID 66404977
4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine
CID 66416546
2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-propan-2-ylacetamide
CID 102916244
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66402406
2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
CID 66405369
1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine
CID 66397545
N-[[1-(3-phenylpropyl)pyrrol-3-yl]methyl]cyclopropanamine
CID 66406178

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide (CID 66405366) is 3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCn1ccc(CNC2CC2)c1.
What is the InChIKey of 3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is WZGQCGOPIMSGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)16-14(18)6-8-17-7-5-12(10-17)9-15-13-3-4-13/h5,7,10-11,13,15H,3-4,6,8-9H2,1-2H3,(H,16,18).
What are the key properties of 3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide?
3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 249.36 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 66405366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).