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

C16H31FN2 — CID 139315756

IUPAC2-tert-butyl-3a-fluoro-N-pentan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
SMILESCCCC(C)NC1CC2CN(C(C)(C)C)CC2(F)C1
InChIInChI=1S/C16H31FN2/c1-6-7-12(2)18-14-8-13-10-19(15(3,4)5)11-16(13,17)9-14/h12-14,18H,6-11H2,1-5H3
InChIKeySVDPZSAEPUUOMU-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.37
Rot. Bonds4

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

2-tert-butyl-3a-fluoro-N-pentan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine (PubChem CID 139315756) has the molecular formula C16H31FN2 and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-tert-butyl-3a-fluoro-N-pentan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-3a-fluoro-N-pentan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
PubChem CID139315756
Molecular FormulaC16H31FN2
Molecular Weight270.44 g/mol
Exact Mass270.25
IUPAC Name2-tert-butyl-3a-fluoro-N-pentan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
SMILESCCCC(C)NC1CC2CN(C(C)(C)C)CC2(F)C1
InChIInChI=1S/C16H31FN2/c1-6-7-12(2)18-14-8-13-10-19(15(3,4)5)11-16(13,17)9-14/h12-14,18H,6-11H2,1-5H3
InChIKeySVDPZSAEPUUOMU-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3a-fluoro-N-pentan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
The IUPAC name of 2-tert-butyl-3a-fluoro-N-pentan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine (CID 139315756) is 2-tert-butyl-3a-fluoro-N-pentan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for 2-tert-butyl-3a-fluoro-N-pentan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
The canonical SMILES for 2-tert-butyl-3a-fluoro-N-pentan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine is CCCC(C)NC1CC2CN(C(C)(C)C)CC2(F)C1.
What is the InChIKey of 2-tert-butyl-3a-fluoro-N-pentan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
The InChIKey is SVDPZSAEPUUOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31FN2/c1-6-7-12(2)18-14-8-13-10-19(15(3,4)5)11-16(13,17)9-14/h12-14,18H,6-11H2,1-5H3.
What are the key properties of 2-tert-butyl-3a-fluoro-N-pentan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
2-tert-butyl-3a-fluoro-N-pentan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine has a molecular weight of 270.44 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3a-fluoro-N-pentan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 139315756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).