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

C16H27N3O — CID 115561563

IUPAC3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide
SMILESNC(=O)C(CN1CC2CCCC2C1)(NC1CC1)C1CC1
InChIInChI=1S/C16H27N3O/c17-15(20)16(13-4-5-13,18-14-6-7-14)10-19-8-11-2-1-3-12(11)9-19/h11-14,18H,1-10H2,(H2,17,20)
InChIKeyGBXHMUKXXNGPHL-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.10
Rot. Bonds6

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

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide (PubChem CID 115561563) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide.

Molecular Properties

Compound Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide
PubChem CID115561563
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide
SMILESNC(=O)C(CN1CC2CCCC2C1)(NC1CC1)C1CC1
InChIInChI=1S/C16H27N3O/c17-15(20)16(13-4-5-13,18-14-6-7-14)10-19-8-11-2-1-3-12(11)9-19/h11-14,18H,1-10H2,(H2,17,20)
InChIKeyGBXHMUKXXNGPHL-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(ethylamino)propanamide
CID 113336080
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanamide
CID 81465082
2-cyclopropyl-2-(cyclopropylamino)-3-(4-methylpiperidin-1-yl)propanamide
CID 63907004
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide
CID 79932429
2-cyclopropyl-2-(cyclopropylamino)-3-[4-(dimethylamino)piperidin-1-yl]propanamide
CID 63911504
2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propanamide
CID 103537930
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
CID 115562636
2-cyclopropyl-2-(cyclopropylamino)-3-(2-ethylpiperidin-1-yl)propanamide
CID 63909516
2-cyclopropyl-2-(cyclopropylamino)-3-pyrazol-1-ylpropanamide
CID 63920489
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpropanoate
CID 115561491
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate
CID 79177875
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide
CID 63920900

Frequently Asked Questions

What is the IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide?
The IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide (CID 115561563) is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide.
What is the SMILES notation for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide?
The canonical SMILES for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide is NC(=O)C(CN1CC2CCCC2C1)(NC1CC1)C1CC1.
What is the InChIKey of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide?
The InChIKey is GBXHMUKXXNGPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c17-15(20)16(13-4-5-13,18-14-6-7-14)10-19-8-11-2-1-3-12(11)9-19/h11-14,18H,1-10H2,(H2,17,20).
What are the key properties of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide?
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide has a molecular weight of 277.41 g/mol, XLogP of 1.10, 6 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)-2-cyclopropyl-2-(cyclopropylamino)propanamide is sourced from PubChem (CID 115561563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).