[3-[(9-ethylcarbazol-3-yl)methyl-methylamino]cyclobutyl]methanol

C21H26N2O — CID 166376331

IUPAC[3-[(9-ethylcarbazol-3-yl)methyl-methylamino]cyclobutyl]methanol
SMILESCCn1c2ccccc2c2cc(CN(C)C3CC(CO)C3)ccc21
InChIInChI=1S/C21H26N2O/c1-3-23-20-7-5-4-6-18(20)19-12-15(8-9-21(19)23)13-22(2)17-10-16(11-17)14-24/h4-9,12,16-17,24H,3,10-11,13-14H2,1-2H3
InChIKeyWYNQLWRPAYQCOX-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.02
Rot. Bonds5

About [3-[(9-ethylcarbazol-3-yl)methyl-methylamino]cyclobutyl]methanol

[3-[(9-ethylcarbazol-3-yl)methyl-methylamino]cyclobutyl]methanol (PubChem CID 166376331) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is [3-[(9-ethylcarbazol-3-yl)methyl-methylamino]cyclobutyl]methanol.

Molecular Properties

Compound Name[3-[(9-ethylcarbazol-3-yl)methyl-methylamino]cyclobutyl]methanol
PubChem CID166376331
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name[3-[(9-ethylcarbazol-3-yl)methyl-methylamino]cyclobutyl]methanol
SMILESCCn1c2ccccc2c2cc(CN(C)C3CC(CO)C3)ccc21
InChIInChI=1S/C21H26N2O/c1-3-23-20-7-5-4-6-18(20)19-12-15(8-9-21(19)23)13-22(2)17-10-16(11-17)14-24/h4-9,12,16-17,24H,3,10-11,13-14H2,1-2H3
InChIKeyWYNQLWRPAYQCOX-UHFFFAOYSA-N
XLogP4.02
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
CID 160567842
3-(9-ethylcarbazol-3-yl)propan-1-ol
CID 117386651
N-[(9-ethylcarbazol-3-yl)methyl]-2-[(S)-ethylsulfinyl]-N-methylbenzamide
CID 25393996
4-N-[(9-ethylcarbazol-3-yl)methyl]-4-N-(2-methylbutyl)cyclohexane-1,4-diamine
CID 23936208
3-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-9-ethylcarbazole
CID 1378344
[4-[[cyclohexylmethyl-[(9-ethylcarbazol-3-yl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934267
1-(9-ethylcarbazol-3-yl)propan-2-ol
CID 117386647
9-ethyl-3-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]carbazole
CID 7027663
2-[(9-ethylcarbazol-3-yl)methylamino]-2-methylpropan-1-ol
CID 4722572
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol
CID 7425045
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;hydrochloride
CID 156592203
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;dihydrochloride
CID 75531489

Frequently Asked Questions

What is the IUPAC name of [3-[(9-ethylcarbazol-3-yl)methyl-methylamino]cyclobutyl]methanol?
The IUPAC name of [3-[(9-ethylcarbazol-3-yl)methyl-methylamino]cyclobutyl]methanol (CID 166376331) is [3-[(9-ethylcarbazol-3-yl)methyl-methylamino]cyclobutyl]methanol.
What is the SMILES notation for [3-[(9-ethylcarbazol-3-yl)methyl-methylamino]cyclobutyl]methanol?
The canonical SMILES for [3-[(9-ethylcarbazol-3-yl)methyl-methylamino]cyclobutyl]methanol is CCn1c2ccccc2c2cc(CN(C)C3CC(CO)C3)ccc21.
What is the InChIKey of [3-[(9-ethylcarbazol-3-yl)methyl-methylamino]cyclobutyl]methanol?
The InChIKey is WYNQLWRPAYQCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-3-23-20-7-5-4-6-18(20)19-12-15(8-9-21(19)23)13-22(2)17-10-16(11-17)14-24/h4-9,12,16-17,24H,3,10-11,13-14H2,1-2H3.
What are the key properties of [3-[(9-ethylcarbazol-3-yl)methyl-methylamino]cyclobutyl]methanol?
[3-[(9-ethylcarbazol-3-yl)methyl-methylamino]cyclobutyl]methanol has a molecular weight of 322.45 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(9-ethylcarbazol-3-yl)methyl-methylamino]cyclobutyl]methanol is sourced from PubChem (CID 166376331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).