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

C13H21N3O — CID 79098648

IUPACN-cyclopropyl-3-[3-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide
SMILESCNC(C)c1ccn(CCC(=O)NC2CC2)c1
InChIInChI=1S/C13H21N3O/c1-10(14-2)11-5-7-16(9-11)8-6-13(17)15-12-3-4-12/h5,7,9-10,12,14H,3-4,6,8H2,1-2H3,(H,15,17)
InChIKeyCWLNXWYMFMSBMJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.44
Rot. Bonds6

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

N-cyclopropyl-3-[3-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide (PubChem CID 79098648) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide
PubChem CID79098648
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-cyclopropyl-3-[3-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide
SMILESCNC(C)c1ccn(CCC(=O)NC2CC2)c1
InChIInChI=1S/C13H21N3O/c1-10(14-2)11-5-7-16(9-11)8-6-13(17)15-12-3-4-12/h5,7,9-10,12,14H,3-4,6,8H2,1-2H3,(H,15,17)
InChIKeyCWLNXWYMFMSBMJ-UHFFFAOYSA-N
XLogP1.44
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.44
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
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CID 66404307
6-[3-[1-(methylamino)ethyl]pyrrol-1-yl]hexan-1-ol
CID 107705862
N-cyclopentyl-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79099453
3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide
CID 66405366
N-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63854650
N-(oxan-4-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79109161
N-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]ethanamine
CID 79099719
N-cyclopropyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61340222
2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
CID 79108233
4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide
CID 79104025
4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide
CID 79102812

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[3-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide (CID 79098648) is N-cyclopropyl-3-[3-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[3-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[3-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide is CNC(C)c1ccn(CCC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[3-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide?
The InChIKey is CWLNXWYMFMSBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(14-2)11-5-7-16(9-11)8-6-13(17)15-12-3-4-12/h5,7,9-10,12,14H,3-4,6,8H2,1-2H3,(H,15,17).
What are the key properties of N-cyclopropyl-3-[3-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide?
N-cyclopropyl-3-[3-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide has a molecular weight of 235.33 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide is sourced from PubChem (CID 79098648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).