2-propan-2-yl-N-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

C14H25F3N2 — CID 177148502

IUPAC2-propan-2-yl-N-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESCC(C)N1CC2CC(NCCCC(F)(F)F)CC2C1
InChIInChI=1S/C14H25F3N2/c1-10(2)19-8-11-6-13(7-12(11)9-19)18-5-3-4-14(15,16)17/h10-13,18H,3-9H2,1-2H3
InChIKeyUARALNBMHPOZBY-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.04
Rot. Bonds5

About 2-propan-2-yl-N-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

2-propan-2-yl-N-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (PubChem CID 177148502) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-propan-2-yl-N-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound Name2-propan-2-yl-N-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
PubChem CID177148502
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name2-propan-2-yl-N-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESCC(C)N1CC2CC(NCCCC(F)(F)F)CC2C1
InChIInChI=1S/C14H25F3N2/c1-10(2)19-8-11-6-13(7-12(11)9-19)18-5-3-4-14(15,16)17/h10-13,18H,3-9H2,1-2H3
InChIKeyUARALNBMHPOZBY-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The IUPAC name of 2-propan-2-yl-N-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (CID 177148502) is 2-propan-2-yl-N-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for 2-propan-2-yl-N-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The canonical SMILES for 2-propan-2-yl-N-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is CC(C)N1CC2CC(NCCCC(F)(F)F)CC2C1.
What is the InChIKey of 2-propan-2-yl-N-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The InChIKey is UARALNBMHPOZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-10(2)19-8-11-6-13(7-12(11)9-19)18-5-3-4-14(15,16)17/h10-13,18H,3-9H2,1-2H3.
What are the key properties of 2-propan-2-yl-N-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
2-propan-2-yl-N-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine has a molecular weight of 278.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 177148502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).