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

C14H23N3 — CID 113336073

IUPAC4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)butanenitrile
SMILESN#CC(CCN1CC2CCCC2C1)NC1CC1
InChIInChI=1S/C14H23N3/c15-8-14(16-13-4-5-13)6-7-17-9-11-2-1-3-12(11)10-17/h11-14,16H,1-7,9-10H2
InChIKeyYHUNXYGFVJFKCN-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.75
Rot. Bonds5

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

4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)butanenitrile (PubChem CID 113336073) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)butanenitrile.

Molecular Properties

Compound Name4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)butanenitrile
PubChem CID113336073
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)butanenitrile
SMILESN#CC(CCN1CC2CCCC2C1)NC1CC1
InChIInChI=1S/C14H23N3/c15-8-14(16-13-4-5-13)6-7-17-9-11-2-1-3-12(11)10-17/h11-14,16H,1-7,9-10H2
InChIKeyYHUNXYGFVJFKCN-UHFFFAOYSA-N
XLogP1.75
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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)butanenitrile?
The IUPAC name of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)butanenitrile (CID 113336073) is 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)butanenitrile.
What is the SMILES notation for 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)butanenitrile?
The canonical SMILES for 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)butanenitrile is N#CC(CCN1CC2CCCC2C1)NC1CC1.
What is the InChIKey of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)butanenitrile?
The InChIKey is YHUNXYGFVJFKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c15-8-14(16-13-4-5-13)6-7-17-9-11-2-1-3-12(11)10-17/h11-14,16H,1-7,9-10H2.
What are the key properties of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)butanenitrile?
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)butanenitrile has a molecular weight of 233.36 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 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)butanenitrile is sourced from PubChem (CID 113336073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).