diethyl-[(2R)-2-hydroxy-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propyl]azanium

C20H31N2O+ — CID 6949865

IUPACdiethyl-[(2R)-2-hydroxy-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propyl]azanium
SMILESCC[NH+](CC)C[C@H](O)Cn1c2c(c3cc(C)ccc31)CCCC2
InChIInChI=1S/C20H30N2O/c1-4-21(5-2)13-16(23)14-22-19-9-7-6-8-17(19)18-12-15(3)10-11-20(18)22/h10-12,16,23H,4-9,13-14H2,1-3H3/p+1/t16-/m0/s1
InChIKeySSFTXRODJYFAFR-INIZCTEOSA-O
MW315.48 g/mol
LogP2.11
Rot. Bonds6

About diethyl-[(2R)-2-hydroxy-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propyl]azanium

diethyl-[(2R)-2-hydroxy-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propyl]azanium (PubChem CID 6949865) has the molecular formula C20H31N2O+ and a molecular weight of 315.48 g/mol. Its IUPAC name is diethyl-[(2R)-2-hydroxy-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propyl]azanium.

Molecular Properties

Compound Namediethyl-[(2R)-2-hydroxy-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propyl]azanium
PubChem CID6949865
Molecular FormulaC20H31N2O+
Molecular Weight315.48 g/mol
Exact Mass315.24
IUPAC Namediethyl-[(2R)-2-hydroxy-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propyl]azanium
SMILESCC[NH+](CC)C[C@H](O)Cn1c2c(c3cc(C)ccc31)CCCC2
InChIInChI=1S/C20H30N2O/c1-4-21(5-2)13-16(23)14-22-19-9-7-6-8-17(19)18-12-15(3)10-11-20(18)22/h10-12,16,23H,4-9,13-14H2,1-3H3/p+1/t16-/m0/s1
InChIKeySSFTXRODJYFAFR-INIZCTEOSA-O
XLogP2.11
TPSA29.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(4-methylpiperidin-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 961698
(2R)-1-(4-methylpiperidin-1-ium-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 6957406
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 2951754
1-(4-benzylpiperazin-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 4525016
(2R)-1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)hexan-2-ol
CID 100994473
3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
CID 82499865
1-(furan-2-ylmethylamino)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol;oxalic acid
CID 2952509
N-methyl-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
CID 176964378
diethyl-[(2R)-2-hydroxy-3-[(5S)-12-methyl-1-aza-4-azoniatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl]propyl]azanium
CID 11861198
9-(3-chloro-2-hydroxypropyl)-6-methyl-3,4-dihydro-2H-carbazol-1-one
CID 11837050
(2R)-1-(methylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 1096351
2-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol
CID 118011547

Frequently Asked Questions

What is the IUPAC name of diethyl-[(2R)-2-hydroxy-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propyl]azanium?
The IUPAC name of diethyl-[(2R)-2-hydroxy-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propyl]azanium (CID 6949865) is diethyl-[(2R)-2-hydroxy-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propyl]azanium.
What is the SMILES notation for diethyl-[(2R)-2-hydroxy-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propyl]azanium?
The canonical SMILES for diethyl-[(2R)-2-hydroxy-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propyl]azanium is CC[NH+](CC)C[C@H](O)Cn1c2c(c3cc(C)ccc31)CCCC2.
What is the InChIKey of diethyl-[(2R)-2-hydroxy-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propyl]azanium?
The InChIKey is SSFTXRODJYFAFR-INIZCTEOSA-O. The full InChI is InChI=1S/C20H30N2O/c1-4-21(5-2)13-16(23)14-22-19-9-7-6-8-17(19)18-12-15(3)10-11-20(18)22/h10-12,16,23H,4-9,13-14H2,1-3H3/p+1/t16-/m0/s1.
What are the key properties of diethyl-[(2R)-2-hydroxy-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propyl]azanium?
diethyl-[(2R)-2-hydroxy-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propyl]azanium has a molecular weight of 315.48 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(2R)-2-hydroxy-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propyl]azanium is sourced from PubChem (CID 6949865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).