1-ethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole

C14H25N — CID 66624953

IUPAC1-ethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole
SMILESCCC1CCCC2C3CCCCC3NC12
InChIInChI=1S/C14H25N/c1-2-10-6-5-8-12-11-7-3-4-9-13(11)15-14(10)12/h10-15H,2-9H2,1H3
InChIKeyRTEYFMRFIQXVMH-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.34
Rot. Bonds1

About 1-ethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole

1-ethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole (PubChem CID 66624953) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-ethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole.

Molecular Properties

Compound Name1-ethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole
PubChem CID66624953
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1-ethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole
SMILESCCC1CCCC2C3CCCCC3NC12
InChIInChI=1S/C14H25N/c1-2-10-6-5-8-12-11-7-3-4-9-13(11)15-14(10)12/h10-15H,2-9H2,1H3
InChIKeyRTEYFMRFIQXVMH-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole?
The IUPAC name of 1-ethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole (CID 66624953) is 1-ethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole.
What is the SMILES notation for 1-ethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole?
The canonical SMILES for 1-ethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole is CCC1CCCC2C3CCCCC3NC12.
What is the InChIKey of 1-ethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole?
The InChIKey is RTEYFMRFIQXVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-2-10-6-5-8-12-11-7-3-4-9-13(11)15-14(10)12/h10-15H,2-9H2,1H3.
What are the key properties of 1-ethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole?
1-ethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole has a molecular weight of 207.36 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole is sourced from PubChem (CID 66624953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).