4-(diethylamino)butan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;hydrochloride

C21H31ClN2O2 — CID 24836627

IUPAC4-(diethylamino)butan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;hydrochloride
SMILESCCN(CC)CCC(C)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3.Cl
InChIInChI=1S/C21H30N2O2.ClH/c1-4-23(5-2)13-12-15(3)25-21(24)16-10-11-20-18(14-16)17-8-6-7-9-19(17)22-20;/h10-11,14-15,22H,4-9,12-13H2,1-3H3;1H
InChIKeyLLSGVFMOEYUTCU-UHFFFAOYSA-N
MW378.94 g/mol
LogP4.75
Rot. Bonds7

About 4-(diethylamino)butan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;hydrochloride

4-(diethylamino)butan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;hydrochloride (PubChem CID 24836627) has the molecular formula C21H31ClN2O2 and a molecular weight of 378.94 g/mol. Its IUPAC name is 4-(diethylamino)butan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Name4-(diethylamino)butan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;hydrochloride
PubChem CID24836627
Molecular FormulaC21H31ClN2O2
Molecular Weight378.94 g/mol
Exact Mass378.21
IUPAC Name4-(diethylamino)butan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;hydrochloride
SMILESCCN(CC)CCC(C)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3.Cl
InChIInChI=1S/C21H30N2O2.ClH/c1-4-23(5-2)13-12-15(3)25-21(24)16-10-11-20-18(14-16)17-8-6-7-9-19(17)22-20;/h10-11,14-15,22H,4-9,12-13H2,1-3H3;1H
InChIKeyLLSGVFMOEYUTCU-UHFFFAOYSA-N
XLogP4.75
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.94
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-oxobutan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 46792554
[(2S)-1-amino-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 7404453
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 47004132
N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46560236
2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid
CID 117359601
(4-nitrophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 50887965
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 4794097
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 52528292
methyl 2-[2-methoxyethyl(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]acetate
CID 71931226
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 2433964
N-methyl-N-(1-pyridin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 60571196

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)butan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;hydrochloride?
The IUPAC name of 4-(diethylamino)butan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;hydrochloride (CID 24836627) is 4-(diethylamino)butan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;hydrochloride.
What is the SMILES notation for 4-(diethylamino)butan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;hydrochloride?
The canonical SMILES for 4-(diethylamino)butan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;hydrochloride is CCN(CC)CCC(C)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3.Cl.
What is the InChIKey of 4-(diethylamino)butan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;hydrochloride?
The InChIKey is LLSGVFMOEYUTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2.ClH/c1-4-23(5-2)13-12-15(3)25-21(24)16-10-11-20-18(14-16)17-8-6-7-9-19(17)22-20;/h10-11,14-15,22H,4-9,12-13H2,1-3H3;1H.
What are the key properties of 4-(diethylamino)butan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;hydrochloride?
4-(diethylamino)butan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;hydrochloride has a molecular weight of 378.94 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)butan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;hydrochloride is sourced from PubChem (CID 24836627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).