N,N-diethyl-2-(2-methyl-3aH-indol-3-yl)ethanamine

C15H22N2 — CID 152743315

IUPACN,N-diethyl-2-(2-methyl-3aH-indol-3-yl)ethanamine
SMILESCCN(CC)CCC1=C(C)N=C2C=CC=CC21
InChIInChI=1S/C15H22N2/c1-4-17(5-2)11-10-13-12(3)16-15-9-7-6-8-14(13)15/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyGQQLQQJRWFSUFA-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.19
Rot. Bonds5

About N,N-diethyl-2-(2-methyl-3aH-indol-3-yl)ethanamine

N,N-diethyl-2-(2-methyl-3aH-indol-3-yl)ethanamine (PubChem CID 152743315) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N,N-diethyl-2-(2-methyl-3aH-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(2-methyl-3aH-indol-3-yl)ethanamine
PubChem CID152743315
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN,N-diethyl-2-(2-methyl-3aH-indol-3-yl)ethanamine
SMILESCCN(CC)CCC1=C(C)N=C2C=CC=CC21
InChIInChI=1S/C15H22N2/c1-4-17(5-2)11-10-13-12(3)16-15-9-7-6-8-14(13)15/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyGQQLQQJRWFSUFA-UHFFFAOYSA-N
XLogP3.19
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 20328276
3-ethenyl-4,5,6-trimethyl-3a,7a-dihydro-1H-isoindole
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1,2,3,3-Tetramethyl-3a,4-dihydroindol-1-ium
CID 20733920
N,N-dimethyl-2,4,9a,9b-tetrahydro-1H-benzo[e]indol-8-amine
CID 53850969
2,13-Diazapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),4,6,8,10,12,14-heptaene
CID 54211564
2-(1-ethylpiperidin-4-yl)-2H-indole
CID 57002424
6-[(4-butylpiperidin-1-yl)methyl]-2H-indole
CID 60064673
CID 60091212
CID 60091212
N-methyl-N-[2-(7-methyl-7H-indol-3-yl)ethyl]cyclopropanamine
CID 67232442

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-methyl-3aH-indol-3-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(2-methyl-3aH-indol-3-yl)ethanamine (CID 152743315) is N,N-diethyl-2-(2-methyl-3aH-indol-3-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(2-methyl-3aH-indol-3-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(2-methyl-3aH-indol-3-yl)ethanamine is CCN(CC)CCC1=C(C)N=C2C=CC=CC21.
What is the InChIKey of N,N-diethyl-2-(2-methyl-3aH-indol-3-yl)ethanamine?
The InChIKey is GQQLQQJRWFSUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-17(5-2)11-10-13-12(3)16-15-9-7-6-8-14(13)15/h6-9,14H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-(2-methyl-3aH-indol-3-yl)ethanamine?
N,N-diethyl-2-(2-methyl-3aH-indol-3-yl)ethanamine has a molecular weight of 230.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-methyl-3aH-indol-3-yl)ethanamine is sourced from PubChem (CID 152743315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).