ethane;1-methyl-3-propan-2-yl-2,3-dihydroindole

C14H23N — CID 177010741

IUPACethane;1-methyl-3-propan-2-yl-2,3-dihydroindole
SMILESCC.CC(C)C1CN(C)c2ccccc21
InChIInChI=1S/C12H17N.C2H6/c1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-2/h4-7,9,11H,8H2,1-3H3;1-2H3
InChIKeyMCWJXBXYNYNDNP-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.90
Rot. Bonds1

About ethane;1-methyl-3-propan-2-yl-2,3-dihydroindole

ethane;1-methyl-3-propan-2-yl-2,3-dihydroindole (PubChem CID 177010741) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is ethane;1-methyl-3-propan-2-yl-2,3-dihydroindole.

Molecular Properties

Compound Nameethane;1-methyl-3-propan-2-yl-2,3-dihydroindole
PubChem CID177010741
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Nameethane;1-methyl-3-propan-2-yl-2,3-dihydroindole
SMILESCC.CC(C)C1CN(C)c2ccccc21
InChIInChI=1S/C12H17N.C2H6/c1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-2/h4-7,9,11H,8H2,1-3H3;1-2H3
InChIKeyMCWJXBXYNYNDNP-UHFFFAOYSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-1,3-dimethyl-2,3-dihydroindole
CID 126732143
(3R)-1-methyl-2,3-dihydroindol-3-amine
CID 175654020
1-methyl-2,3-dihydroindole-3-thiol
CID 123600877
(3R)-1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline
CID 140914028
ethane;1-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 142426417
1,3-dimethyl-3,4-dihydro-2H-quinolin-4-amine
CID 82276304
1-(1-methylpyrazol-3-yl)sulfonyl-3-propan-2-yl-2,3-dihydroindole
CID 136537139
1,3-dimethyl-3,4-dihydro-2H-quinoline-4-carbaldehyde
CID 174566628
1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 115106363
1,3-oxazol-2-yl-(3-propan-2-yl-2,3-dihydroindol-1-yl)methanone
CID 126830105
1-methyl-3-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
CID 58386589
1-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)ethanamine
CID 82277266

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-propan-2-yl-2,3-dihydroindole?
The IUPAC name of ethane;1-methyl-3-propan-2-yl-2,3-dihydroindole (CID 177010741) is ethane;1-methyl-3-propan-2-yl-2,3-dihydroindole.
What is the SMILES notation for ethane;1-methyl-3-propan-2-yl-2,3-dihydroindole?
The canonical SMILES for ethane;1-methyl-3-propan-2-yl-2,3-dihydroindole is CC.CC(C)C1CN(C)c2ccccc21.
What is the InChIKey of ethane;1-methyl-3-propan-2-yl-2,3-dihydroindole?
The InChIKey is MCWJXBXYNYNDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C2H6/c1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-2/h4-7,9,11H,8H2,1-3H3;1-2H3.
What are the key properties of ethane;1-methyl-3-propan-2-yl-2,3-dihydroindole?
ethane;1-methyl-3-propan-2-yl-2,3-dihydroindole has a molecular weight of 205.34 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-propan-2-yl-2,3-dihydroindole is sourced from PubChem (CID 177010741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).