1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine

C14H22N2 — CID 16790029

IUPAC1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(N)CN1CCc2ccccc21
InChIInChI=1S/C14H22N2/c1-14(2,3)13(15)10-16-9-8-11-6-4-5-7-12(11)16/h4-7,13H,8-10,15H2,1-3H3
InChIKeyCFOGHCULAPIZLK-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.42
Rot. Bonds2

About 1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine

1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine (PubChem CID 16790029) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine
PubChem CID16790029
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(N)CN1CCc2ccccc21
InChIInChI=1S/C14H22N2/c1-14(2,3)13(15)10-16-9-8-11-6-4-5-7-12(11)16/h4-7,13H,8-10,15H2,1-3H3
InChIKeyCFOGHCULAPIZLK-UHFFFAOYSA-N
XLogP2.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydroindol-1-yl)-2-methylpropan-1-amine
CID 43174926
1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one
CID 16792075
(2S)-1-(2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-2-amine
CID 22689711
4-(2,3-dihydroindol-1-yl)butan-2-amine
CID 60748123
1-(2-amino-3,3-dimethylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 43165250
2-(2,3-dihydroindol-1-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 18070332
2-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine
CID 16780854
1-(2,2-dimethylbutyl)-2,3-dihydroindole
CID 167187652
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
4-(3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454044
1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-amine
CID 81101379
3-(2,3-dihydroindol-1-yl)-2-methylpropanimidamide
CID 43367984

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine (CID 16790029) is 1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine is CC(C)(C)C(N)CN1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine?
The InChIKey is CFOGHCULAPIZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-14(2,3)13(15)10-16-9-8-11-6-4-5-7-12(11)16/h4-7,13H,8-10,15H2,1-3H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine?
1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine has a molecular weight of 218.34 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 16790029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).