N,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine

C13H18N2 — CID 1837

IUPACN,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine
SMILESCc1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C13H18N2/c1-10-4-5-13-12(8-10)11(9-14-13)6-7-15(2)3/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyNCGJLYBZSJSCIC-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.58
Rot. Bonds3

About N,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine

N,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine (PubChem CID 1837) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine
PubChem CID1837
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine
SMILESCc1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C13H18N2/c1-10-4-5-13-12(8-10)11(9-14-13)6-7-15(2)3/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyNCGJLYBZSJSCIC-UHFFFAOYSA-N
XLogP2.58
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Indole
CID 798
N,N-Dimethyltryptamine
CID 6089
Skatole
CID 6736
Sumatriptan
CID 5358
Tryptamine
CID 1150
Lysergic acid amide
CID 442072
Almotriptan
CID 123606
Gramine
CID 6890
Beta-Carboline
CID 64961
(+-)-alpha-Methyltryptamine
CID 9287
Naratriptan
CID 4440
Methyltryptamine
CID 6088

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine (CID 1837) is N,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine is Cc1ccc2[nH]cc(CCN(C)C)c2c1.
What is the InChIKey of N,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is NCGJLYBZSJSCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10-4-5-13-12(8-10)11(9-14-13)6-7-15(2)3/h4-5,8-9,14H,6-7H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine?
N,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 202.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 1837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).