2-(1H-indol-3-yl)-N,N-dimethylethanamine;2,2,4,4-tetramethylcyclobutane-1,3-diol

C20H32N2O2 — CID 175320113

IUPAC2-(1H-indol-3-yl)-N,N-dimethylethanamine;2,2,4,4-tetramethylcyclobutane-1,3-diol
SMILESCC1(C)C(O)C(C)(C)C1O.CN(C)CCc1c[nH]c2ccccc12
InChIInChI=1S/C12H16N2.C8H16O2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12;1-7(2)5(9)8(3,4)6(7)10/h3-6,9,13H,7-8H2,1-2H3;5-6,9-10H,1-4H3
InChIKeyPEHWNGQIXYKHJD-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.05
Rot. Bonds3

About 2-(1H-indol-3-yl)-N,N-dimethylethanamine;2,2,4,4-tetramethylcyclobutane-1,3-diol

2-(1H-indol-3-yl)-N,N-dimethylethanamine;2,2,4,4-tetramethylcyclobutane-1,3-diol (PubChem CID 175320113) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N,N-dimethylethanamine;2,2,4,4-tetramethylcyclobutane-1,3-diol.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N,N-dimethylethanamine;2,2,4,4-tetramethylcyclobutane-1,3-diol
PubChem CID175320113
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name2-(1H-indol-3-yl)-N,N-dimethylethanamine;2,2,4,4-tetramethylcyclobutane-1,3-diol
SMILESCC1(C)C(O)C(C)(C)C1O.CN(C)CCc1c[nH]c2ccccc12
InChIInChI=1S/C12H16N2.C8H16O2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12;1-7(2)5(9)8(3,4)6(7)10/h3-6,9,13H,7-8H2,1-2H3;5-6,9-10H,1-4H3
InChIKeyPEHWNGQIXYKHJD-UHFFFAOYSA-N
XLogP3.05
TPSA59.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(1H-indol-3-yl)-N,N-dimethylethanamine;2,2,4,4-tetramethylcyclobutane-1,3-diol with MolForge

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Related Compounds

[2-(1H-indol-3-yl)ethyl-methylamino]methanol
CID 115229481
CID 156836279
CID 156836279
[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol
CID 71261395
N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine
CID 115263517
N-amino-N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 174771229
3-[2-(dimethylamino)ethyl]-N-[2-(1H-indol-3-yl)ethyl]-N-methylindol-1-amine
CID 91256139
2-(1H-indol-3-yl)ethyl-methylcyanamide
CID 117029366
1-[2-(dimethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]thiourea
CID 8669325
2-(1H-indol-3-yl)-N,N-dimethoxyethanamine
CID 87617375
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 82087538
N-[2-(1H-indol-3-yl)ethyl]acetohydrazide
CID 141443100
2-(1H-indol-3-yl)-N,N-dimethylethanamine;N-(5-sulfanylpentyl)ethanesulfonamide
CID 91578636

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N,N-dimethylethanamine;2,2,4,4-tetramethylcyclobutane-1,3-diol?
The IUPAC name of 2-(1H-indol-3-yl)-N,N-dimethylethanamine;2,2,4,4-tetramethylcyclobutane-1,3-diol (CID 175320113) is 2-(1H-indol-3-yl)-N,N-dimethylethanamine;2,2,4,4-tetramethylcyclobutane-1,3-diol.
What is the SMILES notation for 2-(1H-indol-3-yl)-N,N-dimethylethanamine;2,2,4,4-tetramethylcyclobutane-1,3-diol?
The canonical SMILES for 2-(1H-indol-3-yl)-N,N-dimethylethanamine;2,2,4,4-tetramethylcyclobutane-1,3-diol is CC1(C)C(O)C(C)(C)C1O.CN(C)CCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N,N-dimethylethanamine;2,2,4,4-tetramethylcyclobutane-1,3-diol?
The InChIKey is PEHWNGQIXYKHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.C8H16O2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12;1-7(2)5(9)8(3,4)6(7)10/h3-6,9,13H,7-8H2,1-2H3;5-6,9-10H,1-4H3.
What are the key properties of 2-(1H-indol-3-yl)-N,N-dimethylethanamine;2,2,4,4-tetramethylcyclobutane-1,3-diol?
2-(1H-indol-3-yl)-N,N-dimethylethanamine;2,2,4,4-tetramethylcyclobutane-1,3-diol has a molecular weight of 332.49 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N,N-dimethylethanamine;2,2,4,4-tetramethylcyclobutane-1,3-diol is sourced from PubChem (CID 175320113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).