3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide

C17H25N3O — CID 115559140

IUPAC3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide
SMILESNCc1cccc(NC(=O)CCN2CC3CCCC3C2)c1
InChIInChI=1S/C17H25N3O/c18-10-13-3-1-6-16(9-13)19-17(21)7-8-20-11-14-4-2-5-15(14)12-20/h1,3,6,9,14-15H,2,4-5,7-8,10-12,18H2,(H,19,21)
InChIKeyYSIXIJGYSWUCGK-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.21
Rot. Bonds5

About 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide (PubChem CID 115559140) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide
PubChem CID115559140
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide
SMILESNCc1cccc(NC(=O)CCN2CC3CCCC3C2)c1
InChIInChI=1S/C17H25N3O/c18-10-13-3-1-6-16(9-13)19-17(21)7-8-20-11-14-4-2-5-15(14)12-20/h1,3,6,9,14-15H,2,4-5,7-8,10-12,18H2,(H,19,21)
InChIKeyYSIXIJGYSWUCGK-UHFFFAOYSA-N
XLogP2.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 102956603
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CID 16793720
N-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124242
N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 61407186
N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide
CID 55041403
(1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide
CID 74243413
N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 16779298
N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide
CID 63254516
N-[3-(aminomethyl)phenyl]-3-cyclopentylsulfinylpropanamide
CID 81333278
4-[3-(aminomethyl)anilino]-4-oxobutanoic acid
CID 110481799
N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylpyrrolidin-1-yl)propanamide
CID 63215911
N-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79188013

Frequently Asked Questions

What is the IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide?
The IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide (CID 115559140) is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide.
What is the SMILES notation for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide?
The canonical SMILES for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide is NCc1cccc(NC(=O)CCN2CC3CCCC3C2)c1.
What is the InChIKey of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide?
The InChIKey is YSIXIJGYSWUCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-10-13-3-1-6-16(9-13)19-17(21)7-8-20-11-14-4-2-5-15(14)12-20/h1,3,6,9,14-15H,2,4-5,7-8,10-12,18H2,(H,19,21).
What are the key properties of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide?
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide has a molecular weight of 287.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide is sourced from PubChem (CID 115559140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).