N,N-diethylethanamine;N-methyl-1H-indol-5-amine

C15H25N3 — CID 142890112

IUPACN,N-diethylethanamine;N-methyl-1H-indol-5-amine
SMILESCCN(CC)CC.CNc1ccc2[nH]ccc2c1
InChIInChI=1S/C9H10N2.C6H15N/c1-10-8-2-3-9-7(6-8)4-5-11-9;1-4-7(5-2)6-3/h2-6,10-11H,1H3;4-6H2,1-3H3
InChIKeyQWPPPLBVTINNGM-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.56
Rot. Bonds4

About N,N-diethylethanamine;N-methyl-1H-indol-5-amine

N,N-diethylethanamine;N-methyl-1H-indol-5-amine (PubChem CID 142890112) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N,N-diethylethanamine;N-methyl-1H-indol-5-amine.

Molecular Properties

Compound NameN,N-diethylethanamine;N-methyl-1H-indol-5-amine
PubChem CID142890112
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN,N-diethylethanamine;N-methyl-1H-indol-5-amine
SMILESCCN(CC)CC.CNc1ccc2[nH]ccc2c1
InChIInChI=1S/C9H10N2.C6H15N/c1-10-8-2-3-9-7(6-8)4-5-11-9;1-4-7(5-2)6-3/h2-6,10-11H,1H3;4-6H2,1-3H3
InChIKeyQWPPPLBVTINNGM-UHFFFAOYSA-N
XLogP3.56
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-5-yl)-N-methylaniline
CID 116996135
N-methylsulfanyl-1H-indol-5-amine
CID 143039504
N-(2-methylpropyl)-1H-indol-5-amine
CID 43204243
N-[(4-ethylphenyl)methyl]-1H-indol-5-amine
CID 28546654
2-(diethylsulfamoyl)-N-(1H-indol-5-yl)acetamide
CID 71984625
N-(4-methylphenyl)-1H-indol-5-amine
CID 58867969
5-(dimethylsulfamoylamino)-1H-indole
CID 22611354
2-(1H-indol-5-ylamino)-2-methylpropan-1-ol
CID 82538440
N-(2-methoxyethyl)-1H-indol-5-amine
CID 82539811
N,N-dimethyl-1H-indol-5-amine
CID 23274
1,3-bis[ethyl(1H-indol-5-ylmethyl)amino]propan-2-ol
CID 166234381
N-octan-2-yl-1H-indol-5-amine
CID 43130007

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;N-methyl-1H-indol-5-amine?
The IUPAC name of N,N-diethylethanamine;N-methyl-1H-indol-5-amine (CID 142890112) is N,N-diethylethanamine;N-methyl-1H-indol-5-amine.
What is the SMILES notation for N,N-diethylethanamine;N-methyl-1H-indol-5-amine?
The canonical SMILES for N,N-diethylethanamine;N-methyl-1H-indol-5-amine is CCN(CC)CC.CNc1ccc2[nH]ccc2c1.
What is the InChIKey of N,N-diethylethanamine;N-methyl-1H-indol-5-amine?
The InChIKey is QWPPPLBVTINNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C6H15N/c1-10-8-2-3-9-7(6-8)4-5-11-9;1-4-7(5-2)6-3/h2-6,10-11H,1H3;4-6H2,1-3H3.
What are the key properties of N,N-diethylethanamine;N-methyl-1H-indol-5-amine?
N,N-diethylethanamine;N-methyl-1H-indol-5-amine has a molecular weight of 247.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;N-methyl-1H-indol-5-amine is sourced from PubChem (CID 142890112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).