ethane;4-ethyl-3,3-dimethyl-1,2-dihydrocyclopenta[b]indole

C25H49N — CID 158823600

IUPACethane;4-ethyl-3,3-dimethyl-1,2-dihydrocyclopenta[b]indole
SMILESCC.CC.CC.CC.CC.CCn1c2c(c3ccccc31)CCC2(C)C
InChIInChI=1S/C15H19N.5C2H6/c1-4-16-13-8-6-5-7-11(13)12-9-10-15(2,3)14(12)16;5*1-2/h5-8H,4,9-10H2,1-3H3;5*1-2H3
InChIKeyIWEGEUIEMIVACO-UHFFFAOYSA-N
MW363.67 g/mol
LogP9.02
Rot. Bonds1

About ethane;4-ethyl-3,3-dimethyl-1,2-dihydrocyclopenta[b]indole

ethane;4-ethyl-3,3-dimethyl-1,2-dihydrocyclopenta[b]indole (PubChem CID 158823600) has the molecular formula C25H49N and a molecular weight of 363.67 g/mol. Its IUPAC name is ethane;4-ethyl-3,3-dimethyl-1,2-dihydrocyclopenta[b]indole.

Molecular Properties

Compound Nameethane;4-ethyl-3,3-dimethyl-1,2-dihydrocyclopenta[b]indole
PubChem CID158823600
Molecular FormulaC25H49N
Molecular Weight363.67 g/mol
Exact Mass363.39
IUPAC Nameethane;4-ethyl-3,3-dimethyl-1,2-dihydrocyclopenta[b]indole
SMILESCC.CC.CC.CC.CC.CCn1c2c(c3ccccc31)CCC2(C)C
InChIInChI=1S/C15H19N.5C2H6/c1-4-16-13-8-6-5-7-11(13)12-9-10-15(2,3)14(12)16;5*1-2/h5-8H,4,9-10H2,1-3H3;5*1-2H3
InChIKeyIWEGEUIEMIVACO-UHFFFAOYSA-N
XLogP9.02
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.67
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-3,3-dimethyl-1,2-dihydrocyclopenta[b]indole?
The IUPAC name of ethane;4-ethyl-3,3-dimethyl-1,2-dihydrocyclopenta[b]indole (CID 158823600) is ethane;4-ethyl-3,3-dimethyl-1,2-dihydrocyclopenta[b]indole.
What is the SMILES notation for ethane;4-ethyl-3,3-dimethyl-1,2-dihydrocyclopenta[b]indole?
The canonical SMILES for ethane;4-ethyl-3,3-dimethyl-1,2-dihydrocyclopenta[b]indole is CC.CC.CC.CC.CC.CCn1c2c(c3ccccc31)CCC2(C)C.
What is the InChIKey of ethane;4-ethyl-3,3-dimethyl-1,2-dihydrocyclopenta[b]indole?
The InChIKey is IWEGEUIEMIVACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N.5C2H6/c1-4-16-13-8-6-5-7-11(13)12-9-10-15(2,3)14(12)16;5*1-2/h5-8H,4,9-10H2,1-3H3;5*1-2H3.
What are the key properties of ethane;4-ethyl-3,3-dimethyl-1,2-dihydrocyclopenta[b]indole?
ethane;4-ethyl-3,3-dimethyl-1,2-dihydrocyclopenta[b]indole has a molecular weight of 363.67 g/mol, XLogP of 9.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-3,3-dimethyl-1,2-dihydrocyclopenta[b]indole is sourced from PubChem (CID 158823600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).