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

C15H29FN2 — CID 139315573

IUPACN,2-ditert-butyl-3a-fluoro-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
SMILESCC(C)(C)NC1CC2CN(C(C)(C)C)CC2(F)C1
InChIInChI=1S/C15H29FN2/c1-13(2,3)17-12-7-11-9-18(14(4,5)6)10-15(11,16)8-12/h11-12,17H,7-10H2,1-6H3
InChIKeyRIHABGIKJNOJAW-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.98
Rot. Bonds1

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

N,2-ditert-butyl-3a-fluoro-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine (PubChem CID 139315573) has the molecular formula C15H29FN2 and a molecular weight of 256.41 g/mol. Its IUPAC name is N,2-ditert-butyl-3a-fluoro-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound NameN,2-ditert-butyl-3a-fluoro-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
PubChem CID139315573
Molecular FormulaC15H29FN2
Molecular Weight256.41 g/mol
Exact Mass256.23
IUPAC NameN,2-ditert-butyl-3a-fluoro-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
SMILESCC(C)(C)NC1CC2CN(C(C)(C)C)CC2(F)C1
InChIInChI=1S/C15H29FN2/c1-13(2,3)17-12-7-11-9-18(14(4,5)6)10-15(11,16)8-12/h11-12,17H,7-10H2,1-6H3
InChIKeyRIHABGIKJNOJAW-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-ditert-butyl-3a-fluoro-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
The IUPAC name of N,2-ditert-butyl-3a-fluoro-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine (CID 139315573) is N,2-ditert-butyl-3a-fluoro-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for N,2-ditert-butyl-3a-fluoro-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
The canonical SMILES for N,2-ditert-butyl-3a-fluoro-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine is CC(C)(C)NC1CC2CN(C(C)(C)C)CC2(F)C1.
What is the InChIKey of N,2-ditert-butyl-3a-fluoro-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
The InChIKey is RIHABGIKJNOJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN2/c1-13(2,3)17-12-7-11-9-18(14(4,5)6)10-15(11,16)8-12/h11-12,17H,7-10H2,1-6H3.
What are the key properties of N,2-ditert-butyl-3a-fluoro-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
N,2-ditert-butyl-3a-fluoro-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine has a molecular weight of 256.41 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-ditert-butyl-3a-fluoro-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 139315573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).