2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-tert-butyl-3-methylbutan-1-amine

C16H32N2 — CID 115562182

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-tert-butyl-3-methylbutan-1-amine
SMILESCC(C)C(CNC(C)(C)C)N1CC2CCCC2C1
InChIInChI=1S/C16H32N2/c1-12(2)15(9-17-16(3,4)5)18-10-13-7-6-8-14(13)11-18/h12-15,17H,6-11H2,1-5H3
InChIKeyJFULGPGYQAPSNO-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.13
Rot. Bonds4

About 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-tert-butyl-3-methylbutan-1-amine

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-tert-butyl-3-methylbutan-1-amine (PubChem CID 115562182) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-tert-butyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-tert-butyl-3-methylbutan-1-amine
PubChem CID115562182
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-tert-butyl-3-methylbutan-1-amine
SMILESCC(C)C(CNC(C)(C)C)N1CC2CCCC2C1
InChIInChI=1S/C16H32N2/c1-12(2)15(9-17-16(3,4)5)18-10-13-7-6-8-14(13)11-18/h12-15,17H,6-11H2,1-5H3
InChIKeyJFULGPGYQAPSNO-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-tert-butyl-3-methylbutan-1-amine?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-tert-butyl-3-methylbutan-1-amine (CID 115562182) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-tert-butyl-3-methylbutan-1-amine.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-tert-butyl-3-methylbutan-1-amine?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-tert-butyl-3-methylbutan-1-amine is CC(C)C(CNC(C)(C)C)N1CC2CCCC2C1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-tert-butyl-3-methylbutan-1-amine?
The InChIKey is JFULGPGYQAPSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12(2)15(9-17-16(3,4)5)18-10-13-7-6-8-14(13)11-18/h12-15,17H,6-11H2,1-5H3.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-tert-butyl-3-methylbutan-1-amine?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-tert-butyl-3-methylbutan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-tert-butyl-3-methylbutan-1-amine is sourced from PubChem (CID 115562182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).