3-butan-2-yl-9-ethylcarbazole

C18H21N — CID 23520664

IUPAC3-butan-2-yl-9-ethylcarbazole
SMILESCCC(C)c1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C18H21N/c1-4-13(3)14-10-11-18-16(12-14)15-8-6-7-9-17(15)19(18)5-2/h6-13H,4-5H2,1-3H3
InChIKeyHJRJZVLTCWHDHB-UHFFFAOYSA-N
MW251.37 g/mol
LogP5.33
Rot. Bonds3

About 3-butan-2-yl-9-ethylcarbazole

3-butan-2-yl-9-ethylcarbazole (PubChem CID 23520664) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-butan-2-yl-9-ethylcarbazole.

Molecular Properties

Compound Name3-butan-2-yl-9-ethylcarbazole
PubChem CID23520664
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name3-butan-2-yl-9-ethylcarbazole
SMILESCCC(C)c1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C18H21N/c1-4-13(3)14-10-11-18-16(12-14)15-8-6-7-9-17(15)19(18)5-2/h6-13H,4-5H2,1-3H3
InChIKeyHJRJZVLTCWHDHB-UHFFFAOYSA-N
XLogP5.33
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.37
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-butan-2-yl-9-phenylcarbazole
CID 23520668
(1R)-1-(9-ethylcarbazol-3-yl)-2-fluoroethanamine;hydrochloride
CID 171232651
9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole
CID 14093933
2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid
CID 117426376
1-(9-ethylcarbazol-3-yl)propane-1,2,3-triol
CID 170819012
3-amino-1-(9-ethylcarbazol-3-yl)propane-1,2-diol
CID 170829191
9-ethyl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole
CID 167189334
(R)-cyclopropyl-(9-ethylcarbazol-3-yl)methanamine
CID 171213067
(1S)-1-(9-ethylcarbazol-3-yl)butane-1,4-diamine
CID 171232656
9-ethyl-3-[(1S)-1-piperazin-1-ylethyl]carbazole
CID 171282163
(1R)-1-(9-ethylcarbazol-3-yl)pentane-1,5-diamine
CID 171213041
(3S)-3-amino-3-(9-ethylcarbazol-3-yl)propanenitrile
CID 171260153

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-9-ethylcarbazole?
The IUPAC name of 3-butan-2-yl-9-ethylcarbazole (CID 23520664) is 3-butan-2-yl-9-ethylcarbazole.
What is the SMILES notation for 3-butan-2-yl-9-ethylcarbazole?
The canonical SMILES for 3-butan-2-yl-9-ethylcarbazole is CCC(C)c1ccc2c(c1)c1ccccc1n2CC.
What is the InChIKey of 3-butan-2-yl-9-ethylcarbazole?
The InChIKey is HJRJZVLTCWHDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-4-13(3)14-10-11-18-16(12-14)15-8-6-7-9-17(15)19(18)5-2/h6-13H,4-5H2,1-3H3.
What are the key properties of 3-butan-2-yl-9-ethylcarbazole?
3-butan-2-yl-9-ethylcarbazole has a molecular weight of 251.37 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-9-ethylcarbazole is sourced from PubChem (CID 23520664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).