1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine

C13H18N2 — CID 71197818

IUPAC1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine
SMILESCCc1c(CN(C)C)[nH]c2ccccc12
InChIInChI=1S/C13H18N2/c1-4-10-11-7-5-6-8-12(11)14-13(10)9-15(2)3/h5-8,14H,4,9H2,1-3H3
InChIKeyIZGAZZBMEJCFGU-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.79
Rot. Bonds3

About 1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine

1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine (PubChem CID 71197818) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine
PubChem CID71197818
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine
SMILESCCc1c(CN(C)C)[nH]c2ccccc12
InChIInChI=1S/C13H18N2/c1-4-10-11-7-5-6-8-12(11)14-13(10)9-15(2)3/h5-8,14H,4,9H2,1-3H3
InChIKeyIZGAZZBMEJCFGU-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2,3-diethyl-1H-indole;hydrate
CID 70606554
N,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine
CID 119082195
3-ethyl-2-propyl-1H-indole
CID 65335384
2-benzyl-3-ethyl-1H-indole
CID 13115106
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
3-ethyl-1H-indole-2-carbonitrile
CID 89048363
ethyl 2-(3-ethyl-1H-indol-2-yl)acetate
CID 15424486
bis(9H-carbazole);propane
CID 90987002
2-benzyl-3-ethyl-1H-quinolin-4-one
CID 131850781
3-[2-(dimethylamino)ethyl]-1H-indol-2-amine
CID 54239513
2-(dimethoxymethyl)-3-ethyl-1H-indole
CID 134907125
1-[2-(1-adamantyl)-1H-indol-3-yl]-N,N-dimethylmethanamine
CID 4920926

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine (CID 71197818) is 1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine is CCc1c(CN(C)C)[nH]c2ccccc12.
What is the InChIKey of 1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine?
The InChIKey is IZGAZZBMEJCFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-10-11-7-5-6-8-12(11)14-13(10)9-15(2)3/h5-8,14H,4,9H2,1-3H3.
What are the key properties of 1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine?
1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine has a molecular weight of 202.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 71197818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).