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

C10H19FN2 — CID 138719490

IUPAC3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
SMILESCC(C)N1CC2CC(N)CC2(F)C1
InChIInChI=1S/C10H19FN2/c1-7(2)13-5-8-3-9(12)4-10(8,11)6-13/h7-9H,3-6,12H2,1-2H3
InChIKeyQJGXZOCDLFROAQ-UHFFFAOYSA-N
MW186.27 g/mol
LogP1.16
Rot. Bonds1

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

3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine (PubChem CID 138719490) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound Name3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
PubChem CID138719490
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
SMILESCC(C)N1CC2CC(N)CC2(F)C1
InChIInChI=1S/C10H19FN2/c1-7(2)13-5-8-3-9(12)4-10(8,11)6-13/h7-9H,3-6,12H2,1-2H3
InChIKeyQJGXZOCDLFROAQ-UHFFFAOYSA-N
XLogP1.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 141258580
CID 141258580
CID 19833398
CID 19833398
CID 20763675
CID 20763675
CID 123338489
CID 123338489
CID 138719478
CID 138719478
CID 138719512
CID 138719512
CID 139315446
CID 139315446
CID 139315573
CID 139315573
CID 139315574
CID 139315574
CID 139315710
CID 139315710
CID 139315725
CID 139315725
CID 139315756
CID 139315756

Frequently Asked Questions

What is the IUPAC name of 3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
The IUPAC name of 3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine (CID 138719490) is 3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for 3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
The canonical SMILES for 3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine is CC(C)N1CC2CC(N)CC2(F)C1.
What is the InChIKey of 3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
The InChIKey is QJGXZOCDLFROAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c1-7(2)13-5-8-3-9(12)4-10(8,11)6-13/h7-9H,3-6,12H2,1-2H3.
What are the key properties of 3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine has a molecular weight of 186.27 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 138719490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).