4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide

C16H29N3O — CID 115561436

IUPAC4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide
SMILESCC(CC(C)(NC1CC1)C(N)=O)N1CC2CCCC2C1
InChIInChI=1S/C16H29N3O/c1-11(19-9-12-4-3-5-13(12)10-19)8-16(2,15(17)20)18-14-6-7-14/h11-14,18H,3-10H2,1-2H3,(H2,17,20)
InChIKeyUJALBRVEFMGYTL-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.49
Rot. Bonds6

About 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide

4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide (PubChem CID 115561436) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide.

Molecular Properties

Compound Name4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide
PubChem CID115561436
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide
SMILESCC(CC(C)(NC1CC1)C(N)=O)N1CC2CCCC2C1
InChIInChI=1S/C16H29N3O/c1-11(19-9-12-4-3-5-13(12)10-19)8-16(2,15(17)20)18-14-6-7-14/h11-14,18H,3-10H2,1-2H3,(H2,17,20)
InChIKeyUJALBRVEFMGYTL-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide with MolForge

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Related Compounds

2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentanamide
CID 104960286
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)-2-methylpentanamide
CID 65324875
2-(cyclopropylamino)-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanamide
CID 64703050
2-(cyclopropylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanamide
CID 64704169
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpropanoate
CID 115561491
2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid
CID 64710184
4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanamide
CID 79184110
2-(cyclopentylamino)-4,4-dimethoxy-2-methylbutanamide
CID 66178852
2-(cyclopropylamino)-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylpentanamide
CID 64705468
2-(cyclopropylamino)-2-methyl-4-[methyl(pentyl)amino]pentanamide
CID 64710348
2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide
CID 64725372
methyl 2-(cyclopropylamino)-4-(3-methoxypiperidin-1-yl)-2-methylpentanoate
CID 102966545

Frequently Asked Questions

What is the IUPAC name of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide?
The IUPAC name of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide (CID 115561436) is 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide.
What is the SMILES notation for 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide?
The canonical SMILES for 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide is CC(CC(C)(NC1CC1)C(N)=O)N1CC2CCCC2C1.
What is the InChIKey of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide?
The InChIKey is UJALBRVEFMGYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-11(19-9-12-4-3-5-13(12)10-19)8-16(2,15(17)20)18-14-6-7-14/h11-14,18H,3-10H2,1-2H3,(H2,17,20).
What are the key properties of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide?
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide has a molecular weight of 279.43 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide is sourced from PubChem (CID 115561436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).