3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole

C15H19NO2 — CID 57218334

IUPAC3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole
SMILESCC1(C)OCC(Cc2c[nH]c3ccccc23)CO1
InChIInChI=1S/C15H19NO2/c1-15(2)17-9-11(10-18-15)7-12-8-16-14-6-4-3-5-13(12)14/h3-6,8,11,16H,7,9-10H2,1-2H3
InChIKeyRVMFMWZPGXQELU-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.11
Rot. Bonds2

About 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole

3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole (PubChem CID 57218334) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole
PubChem CID57218334
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole
SMILESCC1(C)OCC(Cc2c[nH]c3ccccc23)CO1
InChIInChI=1S/C15H19NO2/c1-15(2)17-9-11(10-18-15)7-12-8-16-14-6-4-3-5-13(12)14/h3-6,8,11,16H,7,9-10H2,1-2H3
InChIKeyRVMFMWZPGXQELU-UHFFFAOYSA-N
XLogP3.11
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-3-ylmethyl(dimethyl)azanium chloride
CID 45033090
3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-ethylsulfanyl-1H-indole
CID 11781709
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
N-(1H-indol-3-ylmethyl)-2,2-dimethylcyclopropan-1-amine
CID 61221927
(2S,3R,4S,5R)-2-(1H-indol-3-ylmethyl)oxane-2,3,4,5-tetrol
CID 91122601
3-ethyl-1H-indole;methanamine
CID 142222050
5-(1H-indol-3-ylmethyl)-2-methylimino-1,3-thiazolidin-4-one
CID 135480767
(2R)-1-(1H-indol-3-yl)-N-(oxetan-3-ylmethyl)propan-2-amine
CID 131965234
5-(1H-indol-3-ylmethyl)-2,2,3-trimethylimidazolidin-4-one;hydrochloride
CID 74830761
N-(1H-indol-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965535
3-heptyl-1H-indole
CID 15360907
(2R)-2-amino-N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-(1H-indol-3-yl)-2-methylpropanamide
CID 67892234

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole?
The IUPAC name of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole (CID 57218334) is 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole?
The canonical SMILES for 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole is CC1(C)OCC(Cc2c[nH]c3ccccc23)CO1.
What is the InChIKey of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole?
The InChIKey is RVMFMWZPGXQELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(2)17-9-11(10-18-15)7-12-8-16-14-6-4-3-5-13(12)14/h3-6,8,11,16H,7,9-10H2,1-2H3.
What are the key properties of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole?
3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole has a molecular weight of 245.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole is sourced from PubChem (CID 57218334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).