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

C15H29FN2 — CID 139315725

IUPAC3a-fluoro-N-(3-methylbutan-2-yl)-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
SMILESCC(C)C(C)NC1CC2CN(C(C)C)CC2(F)C1
InChIInChI=1S/C15H29FN2/c1-10(2)12(5)17-14-6-13-8-18(11(3)4)9-15(13,16)7-14/h10-14,17H,6-9H2,1-5H3
InChIKeyUQHJGDOKUPTYAE-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.83
Rot. Bonds4

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

3a-fluoro-N-(3-methylbutan-2-yl)-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine (PubChem CID 139315725) has the molecular formula C15H29FN2 and a molecular weight of 256.41 g/mol. Its IUPAC name is 3a-fluoro-N-(3-methylbutan-2-yl)-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound Name3a-fluoro-N-(3-methylbutan-2-yl)-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
PubChem CID139315725
Molecular FormulaC15H29FN2
Molecular Weight256.41 g/mol
Exact Mass256.23
IUPAC Name3a-fluoro-N-(3-methylbutan-2-yl)-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
SMILESCC(C)C(C)NC1CC2CN(C(C)C)CC2(F)C1
InChIInChI=1S/C15H29FN2/c1-10(2)12(5)17-14-6-13-8-18(11(3)4)9-15(13,16)7-14/h10-14,17H,6-9H2,1-5H3
InChIKeyUQHJGDOKUPTYAE-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a-fluoro-N-(3-methylbutan-2-yl)-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
The IUPAC name of 3a-fluoro-N-(3-methylbutan-2-yl)-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine (CID 139315725) is 3a-fluoro-N-(3-methylbutan-2-yl)-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for 3a-fluoro-N-(3-methylbutan-2-yl)-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
The canonical SMILES for 3a-fluoro-N-(3-methylbutan-2-yl)-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine is CC(C)C(C)NC1CC2CN(C(C)C)CC2(F)C1.
What is the InChIKey of 3a-fluoro-N-(3-methylbutan-2-yl)-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
The InChIKey is UQHJGDOKUPTYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN2/c1-10(2)12(5)17-14-6-13-8-18(11(3)4)9-15(13,16)7-14/h10-14,17H,6-9H2,1-5H3.
What are the key properties of 3a-fluoro-N-(3-methylbutan-2-yl)-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
3a-fluoro-N-(3-methylbutan-2-yl)-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine has a molecular weight of 256.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-fluoro-N-(3-methylbutan-2-yl)-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 139315725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).