N-tert-butyl-3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine

C14H27FN2 — CID 139315446

IUPACN-tert-butyl-3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
SMILESCC(C)N1CC2CC(NC(C)(C)C)CC2(F)C1
InChIInChI=1S/C14H27FN2/c1-10(2)17-8-11-6-12(16-13(3,4)5)7-14(11,15)9-17/h10-12,16H,6-9H2,1-5H3
InChIKeyACPPHCNGRBTPBI-UHFFFAOYSA-N
MW242.38 g/mol
LogP2.59
Rot. Bonds2

About N-tert-butyl-3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine

N-tert-butyl-3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine (PubChem CID 139315446) has the molecular formula C14H27FN2 and a molecular weight of 242.38 g/mol. Its IUPAC name is N-tert-butyl-3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
PubChem CID139315446
Molecular FormulaC14H27FN2
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC NameN-tert-butyl-3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
SMILESCC(C)N1CC2CC(NC(C)(C)C)CC2(F)C1
InChIInChI=1S/C14H27FN2/c1-10(2)17-8-11-6-12(16-13(3,4)5)7-14(11,15)9-17/h10-12,16H,6-9H2,1-5H3
InChIKeyACPPHCNGRBTPBI-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
The IUPAC name of N-tert-butyl-3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine (CID 139315446) is N-tert-butyl-3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for N-tert-butyl-3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
The canonical SMILES for N-tert-butyl-3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine is CC(C)N1CC2CC(NC(C)(C)C)CC2(F)C1.
What is the InChIKey of N-tert-butyl-3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
The InChIKey is ACPPHCNGRBTPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2/c1-10(2)17-8-11-6-12(16-13(3,4)5)7-14(11,15)9-17/h10-12,16H,6-9H2,1-5H3.
What are the key properties of N-tert-butyl-3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
N-tert-butyl-3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine has a molecular weight of 242.38 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 139315446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).