N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2-methylbutan-1-amine

C16H26N2 — CID 114327291

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2-methylbutan-1-amine
SMILESCCC(C)CN(CC)Cc1cccc2c1NCC2
InChIInChI=1S/C16H26N2/c1-4-13(3)11-18(5-2)12-15-8-6-7-14-9-10-17-16(14)15/h6-8,13,17H,4-5,9-12H2,1-3H3
InChIKeyTUCANINZPXWYNA-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.52
Rot. Bonds6

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2-methylbutan-1-amine

N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2-methylbutan-1-amine (PubChem CID 114327291) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2-methylbutan-1-amine
PubChem CID114327291
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2-methylbutan-1-amine
SMILESCCC(C)CN(CC)Cc1cccc2c1NCC2
InChIInChI=1S/C16H26N2/c1-4-13(3)11-18(5-2)12-15-8-6-7-14-9-10-17-16(14)15/h6-8,13,17H,4-5,9-12H2,1-3H3
InChIKeyTUCANINZPXWYNA-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2,2-difluoroethanamine;hydrochloride
CID 120849154
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methylpropan-2-amine
CID 114326986
N-butan-2-yl-N-(2,3-dihydro-1H-indol-7-ylmethyl)butan-1-amine
CID 114327155
4-[[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide
CID 120848272
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 80650079
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine
CID 80649218
N-(2,6-difluorophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]acetamide
CID 120847730
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,2,2-trimethylcyclopropan-1-amine
CID 120848868
2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120847394
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,3,5-trimethylaniline
CID 114327187
3-[2,3-dihydro-1H-indol-7-ylmethyl(2-methoxyethyl)amino]propanenitrile
CID 114327241
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol
CID 80650053

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2-methylbutan-1-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2-methylbutan-1-amine (CID 114327291) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2-methylbutan-1-amine is CCC(C)CN(CC)Cc1cccc2c1NCC2.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2-methylbutan-1-amine?
The InChIKey is TUCANINZPXWYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-13(3)11-18(5-2)12-15-8-6-7-14-9-10-17-16(14)15/h6-8,13,17H,4-5,9-12H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2-methylbutan-1-amine?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2-methylbutan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 114327291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).