N-[2-(3-methylindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine

C17H24N2O — CID 62564636

IUPACN-[2-(3-methylindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCc1cn(CCNC(C)C2CCCO2)c2ccccc12
InChIInChI=1S/C17H24N2O/c1-13-12-19(16-7-4-3-6-15(13)16)10-9-18-14(2)17-8-5-11-20-17/h3-4,6-7,12,14,17-18H,5,8-11H2,1-2H3
InChIKeyCJGCNNSCKAEJIH-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.11
Rot. Bonds5

About N-[2-(3-methylindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine

N-[2-(3-methylindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 62564636) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[2-(3-methylindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(3-methylindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
PubChem CID62564636
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[2-(3-methylindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCc1cn(CCNC(C)C2CCCO2)c2ccccc12
InChIInChI=1S/C17H24N2O/c1-13-12-19(16-7-4-3-6-15(13)16)10-9-18-14(2)17-8-5-11-20-17/h3-4,6-7,12,14,17-18H,5,8-11H2,1-2H3
InChIKeyCJGCNNSCKAEJIH-UHFFFAOYSA-N
XLogP3.11
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[2-(3-methylindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine (CID 62564636) is N-[2-(3-methylindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[2-(3-methylindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[2-(3-methylindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine is Cc1cn(CCNC(C)C2CCCO2)c2ccccc12.
What is the InChIKey of N-[2-(3-methylindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is CJGCNNSCKAEJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-12-19(16-7-4-3-6-15(13)16)10-9-18-14(2)17-8-5-11-20-17/h3-4,6-7,12,14,17-18H,5,8-11H2,1-2H3.
What are the key properties of N-[2-(3-methylindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
N-[2-(3-methylindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 272.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 62564636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).