N-cyclopropyl-3-[3-(ethylaminomethyl)pyrrol-1-yl]propanamide

C13H21N3O — CID 66404307

IUPACN-cyclopropyl-3-[3-(ethylaminomethyl)pyrrol-1-yl]propanamide
SMILESCCNCc1ccn(CCC(=O)NC2CC2)c1
InChIInChI=1S/C13H21N3O/c1-2-14-9-11-5-7-16(10-11)8-6-13(17)15-12-3-4-12/h5,7,10,12,14H,2-4,6,8-9H2,1H3,(H,15,17)
InChIKeyLTZOCWJOCOMENJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.27
Rot. Bonds7

About N-cyclopropyl-3-[3-(ethylaminomethyl)pyrrol-1-yl]propanamide

N-cyclopropyl-3-[3-(ethylaminomethyl)pyrrol-1-yl]propanamide (PubChem CID 66404307) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-(ethylaminomethyl)pyrrol-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-(ethylaminomethyl)pyrrol-1-yl]propanamide
PubChem CID66404307
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-cyclopropyl-3-[3-(ethylaminomethyl)pyrrol-1-yl]propanamide
SMILESCCNCc1ccn(CCC(=O)NC2CC2)c1
InChIInChI=1S/C13H21N3O/c1-2-14-9-11-5-7-16(10-11)8-6-13(17)15-12-3-4-12/h5,7,10,12,14H,2-4,6,8-9H2,1H3,(H,15,17)
InChIKeyLTZOCWJOCOMENJ-UHFFFAOYSA-N
XLogP1.27
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide
CID 66405210
N-cyclopropyl-2-[3-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66406741
3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide
CID 66405366
N-cyclopropyl-3-[3-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide
CID 79098648
N-[(1-dodecylpyrrol-3-yl)methyl]ethanamine
CID 66404098
N-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide
CID 66404977
N-cyclopropyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915871
N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]ethanamine
CID 107913082
2-[3-(ethylaminomethyl)pyrrol-1-yl]-N,N-dimethylacetamide
CID 66405923
N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]propanamide
CID 66405145
2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
CID 66405369
1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66414583

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-(ethylaminomethyl)pyrrol-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[3-(ethylaminomethyl)pyrrol-1-yl]propanamide (CID 66404307) is N-cyclopropyl-3-[3-(ethylaminomethyl)pyrrol-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[3-(ethylaminomethyl)pyrrol-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[3-(ethylaminomethyl)pyrrol-1-yl]propanamide is CCNCc1ccn(CCC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[3-(ethylaminomethyl)pyrrol-1-yl]propanamide?
The InChIKey is LTZOCWJOCOMENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-14-9-11-5-7-16(10-11)8-6-13(17)15-12-3-4-12/h5,7,10,12,14H,2-4,6,8-9H2,1H3,(H,15,17).
What are the key properties of N-cyclopropyl-3-[3-(ethylaminomethyl)pyrrol-1-yl]propanamide?
N-cyclopropyl-3-[3-(ethylaminomethyl)pyrrol-1-yl]propanamide has a molecular weight of 235.33 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-(ethylaminomethyl)pyrrol-1-yl]propanamide is sourced from PubChem (CID 66404307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).