N-[2-(1H-indol-5-yl)ethyl]-1-(2-methyloxolan-2-yl)ethanamine

C17H24N2O — CID 119052551

IUPACN-[2-(1H-indol-5-yl)ethyl]-1-(2-methyloxolan-2-yl)ethanamine
SMILESCC(NCCc1ccc2[nH]ccc2c1)C1(C)CCCO1
InChIInChI=1S/C17H24N2O/c1-13(17(2)8-3-11-20-17)18-9-6-14-4-5-16-15(12-14)7-10-19-16/h4-5,7,10,12-13,18-19H,3,6,8-9,11H2,1-2H3
InChIKeyCKVPOQIRZSLGGB-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.26
Rot. Bonds5

About N-[2-(1H-indol-5-yl)ethyl]-1-(2-methyloxolan-2-yl)ethanamine

N-[2-(1H-indol-5-yl)ethyl]-1-(2-methyloxolan-2-yl)ethanamine (PubChem CID 119052551) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[2-(1H-indol-5-yl)ethyl]-1-(2-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(1H-indol-5-yl)ethyl]-1-(2-methyloxolan-2-yl)ethanamine
PubChem CID119052551
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[2-(1H-indol-5-yl)ethyl]-1-(2-methyloxolan-2-yl)ethanamine
SMILESCC(NCCc1ccc2[nH]ccc2c1)C1(C)CCCO1
InChIInChI=1S/C17H24N2O/c1-13(17(2)8-3-11-20-17)18-9-6-14-4-5-16-15(12-14)7-10-19-16/h4-5,7,10,12-13,18-19H,3,6,8-9,11H2,1-2H3
InChIKeyCKVPOQIRZSLGGB-UHFFFAOYSA-N
XLogP3.26
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-5-yl)-N-methylethanamine
CID 82374641
2-[1-[2-(1H-indol-5-yl)ethylamino]ethyl]phenol
CID 166232649
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide
CID 119070678
1-[2-(1H-indol-5-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122013333
1-(1H-indol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 114107229
5-(4-methylpentyl)-1H-indole
CID 143660626
(3R)-1-acetyl-3-hydroxy-N-[2-(1H-indol-5-yl)ethyl]piperidine-3-carboxamide
CID 129346826
1-(1H-indol-5-ylmethyl)-N,N-dimethylcyclobutan-1-amine
CID 57194101
5-pent-3-enyl-1H-indole
CID 54525376
1-(1H-indol-5-yl)-4-methylpentan-3-one
CID 22572822
N-(1H-indol-5-ylmethyl)-2-propan-2-yloxyethanamine
CID 102911874
N-(1H-indol-5-ylmethyl)morpholin-4-amine;hydrochloride
CID 17221797

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-5-yl)ethyl]-1-(2-methyloxolan-2-yl)ethanamine?
The IUPAC name of N-[2-(1H-indol-5-yl)ethyl]-1-(2-methyloxolan-2-yl)ethanamine (CID 119052551) is N-[2-(1H-indol-5-yl)ethyl]-1-(2-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for N-[2-(1H-indol-5-yl)ethyl]-1-(2-methyloxolan-2-yl)ethanamine?
The canonical SMILES for N-[2-(1H-indol-5-yl)ethyl]-1-(2-methyloxolan-2-yl)ethanamine is CC(NCCc1ccc2[nH]ccc2c1)C1(C)CCCO1.
What is the InChIKey of N-[2-(1H-indol-5-yl)ethyl]-1-(2-methyloxolan-2-yl)ethanamine?
The InChIKey is CKVPOQIRZSLGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(17(2)8-3-11-20-17)18-9-6-14-4-5-16-15(12-14)7-10-19-16/h4-5,7,10,12-13,18-19H,3,6,8-9,11H2,1-2H3.
What are the key properties of N-[2-(1H-indol-5-yl)ethyl]-1-(2-methyloxolan-2-yl)ethanamine?
N-[2-(1H-indol-5-yl)ethyl]-1-(2-methyloxolan-2-yl)ethanamine has a molecular weight of 272.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-5-yl)ethyl]-1-(2-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 119052551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).