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

C24H47FN2 — CID 139315710

IUPAC3a-fluoro-2-(4-methyldecan-4-yl)-N-(3-methylpentan-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
SMILESCCCCCCC(C)(CCC)N1CC2CC(NC(C)(CC)CC)CC2(F)C1
InChIInChI=1S/C24H47FN2/c1-7-11-12-13-15-23(6,14-8-2)27-18-20-16-21(17-24(20,25)19-27)26-22(5,9-3)10-4/h20-21,26H,7-19H2,1-6H3
InChIKeyUUKCZRLUPZXCCZ-UHFFFAOYSA-N
MW382.65 g/mol
LogP6.49
Rot. Bonds12

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

3a-fluoro-2-(4-methyldecan-4-yl)-N-(3-methylpentan-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine (PubChem CID 139315710) has the molecular formula C24H47FN2 and a molecular weight of 382.65 g/mol. Its IUPAC name is 3a-fluoro-2-(4-methyldecan-4-yl)-N-(3-methylpentan-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound Name3a-fluoro-2-(4-methyldecan-4-yl)-N-(3-methylpentan-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
PubChem CID139315710
Molecular FormulaC24H47FN2
Molecular Weight382.65 g/mol
Exact Mass382.37
IUPAC Name3a-fluoro-2-(4-methyldecan-4-yl)-N-(3-methylpentan-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
SMILESCCCCCCC(C)(CCC)N1CC2CC(NC(C)(CC)CC)CC2(F)C1
InChIInChI=1S/C24H47FN2/c1-7-11-12-13-15-23(6,14-8-2)27-18-20-16-21(17-24(20,25)19-27)26-22(5,9-3)10-4/h20-21,26H,7-19H2,1-6H3
InChIKeyUUKCZRLUPZXCCZ-UHFFFAOYSA-N
XLogP6.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.65
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3a-fluoro-2-(4-methyldecan-4-yl)-N-(3-methylpentan-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
The IUPAC name of 3a-fluoro-2-(4-methyldecan-4-yl)-N-(3-methylpentan-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine (CID 139315710) is 3a-fluoro-2-(4-methyldecan-4-yl)-N-(3-methylpentan-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for 3a-fluoro-2-(4-methyldecan-4-yl)-N-(3-methylpentan-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
The canonical SMILES for 3a-fluoro-2-(4-methyldecan-4-yl)-N-(3-methylpentan-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine is CCCCCCC(C)(CCC)N1CC2CC(NC(C)(CC)CC)CC2(F)C1.
What is the InChIKey of 3a-fluoro-2-(4-methyldecan-4-yl)-N-(3-methylpentan-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
The InChIKey is UUKCZRLUPZXCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47FN2/c1-7-11-12-13-15-23(6,14-8-2)27-18-20-16-21(17-24(20,25)19-27)26-22(5,9-3)10-4/h20-21,26H,7-19H2,1-6H3.
What are the key properties of 3a-fluoro-2-(4-methyldecan-4-yl)-N-(3-methylpentan-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
3a-fluoro-2-(4-methyldecan-4-yl)-N-(3-methylpentan-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine has a molecular weight of 382.65 g/mol, XLogP of 6.49, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-fluoro-2-(4-methyldecan-4-yl)-N-(3-methylpentan-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 139315710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).