1-tert-butyl-2,3-diethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole

C18H34N2 — CID 70868518

IUPAC1-tert-butyl-2,3-diethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole
SMILESCCC1C(C(C)(C)C)C2C3CCCCC3NC2N1CC
InChIInChI=1S/C18H34N2/c1-6-14-16(18(3,4)5)15-12-10-8-9-11-13(12)19-17(15)20(14)7-2/h12-17,19H,6-11H2,1-5H3
InChIKeyVVUJKDMAKFNBKL-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.87
Rot. Bonds2

About 1-tert-butyl-2,3-diethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole

1-tert-butyl-2,3-diethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole (PubChem CID 70868518) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-tert-butyl-2,3-diethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole.

Molecular Properties

Compound Name1-tert-butyl-2,3-diethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole
PubChem CID70868518
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-tert-butyl-2,3-diethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole
SMILESCCC1C(C(C)(C)C)C2C3CCCCC3NC2N1CC
InChIInChI=1S/C18H34N2/c1-6-14-16(18(3,4)5)15-12-10-8-9-11-13(12)19-17(15)20(14)7-2/h12-17,19H,6-11H2,1-5H3
InChIKeyVVUJKDMAKFNBKL-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3-diethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole?
The IUPAC name of 1-tert-butyl-2,3-diethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole (CID 70868518) is 1-tert-butyl-2,3-diethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole.
What is the SMILES notation for 1-tert-butyl-2,3-diethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole?
The canonical SMILES for 1-tert-butyl-2,3-diethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole is CCC1C(C(C)(C)C)C2C3CCCCC3NC2N1CC.
What is the InChIKey of 1-tert-butyl-2,3-diethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole?
The InChIKey is VVUJKDMAKFNBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-6-14-16(18(3,4)5)15-12-10-8-9-11-13(12)19-17(15)20(14)7-2/h12-17,19H,6-11H2,1-5H3.
What are the key properties of 1-tert-butyl-2,3-diethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole?
1-tert-butyl-2,3-diethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole has a molecular weight of 278.48 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,3-diethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole is sourced from PubChem (CID 70868518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).