1-[1-(oxolan-2-ylmethyl)indol-5-yl]butan-2-amine

C17H24N2O — CID 102917685

IUPAC1-[1-(oxolan-2-ylmethyl)indol-5-yl]butan-2-amine
SMILESCCC(N)Cc1ccc2c(ccn2CC2CCCO2)c1
InChIInChI=1S/C17H24N2O/c1-2-15(18)11-13-5-6-17-14(10-13)7-8-19(17)12-16-4-3-9-20-16/h5-8,10,15-16H,2-4,9,11-12,18H2,1H3
InChIKeyRKSHZMWOGWEKCE-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.10
Rot. Bonds5

About 1-[1-(oxolan-2-ylmethyl)indol-5-yl]butan-2-amine

1-[1-(oxolan-2-ylmethyl)indol-5-yl]butan-2-amine (PubChem CID 102917685) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[1-(oxolan-2-ylmethyl)indol-5-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(oxolan-2-ylmethyl)indol-5-yl]butan-2-amine
PubChem CID102917685
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[1-(oxolan-2-ylmethyl)indol-5-yl]butan-2-amine
SMILESCCC(N)Cc1ccc2c(ccn2CC2CCCO2)c1
InChIInChI=1S/C17H24N2O/c1-2-15(18)11-13-5-6-17-14(10-13)7-8-19(17)12-16-4-3-9-20-16/h5-8,10,15-16H,2-4,9,11-12,18H2,1H3
InChIKeyRKSHZMWOGWEKCE-UHFFFAOYSA-N
XLogP3.10
TPSA40.18 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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline
CID 63817565
1-(oxolan-2-ylmethyl)indole-5-carboxylic acid
CID 63749653
1-(oxan-2-ylmethyl)indole-5-carboxylic acid
CID 63935795
[1-[3-(oxolan-2-yl)propyl]indol-5-yl]methanamine
CID 65164965
1-[1-(2-thiophen-2-ylethyl)indol-5-yl]butan-2-amine
CID 102917638
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60906681
1-[4-methoxy-3-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60906922
6-fluoro-1-(oxolan-2-ylmethyl)indole
CID 116619846
1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine
CID 106457576
4-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 63817545
1-[1-(cyclopentylmethyl)indol-5-yl]propan-2-ol
CID 115106762
1-[1-(cyclobutylmethyl)indol-5-yl]propan-2-ol
CID 115106760

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-ylmethyl)indol-5-yl]butan-2-amine?
The IUPAC name of 1-[1-(oxolan-2-ylmethyl)indol-5-yl]butan-2-amine (CID 102917685) is 1-[1-(oxolan-2-ylmethyl)indol-5-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(oxolan-2-ylmethyl)indol-5-yl]butan-2-amine?
The canonical SMILES for 1-[1-(oxolan-2-ylmethyl)indol-5-yl]butan-2-amine is CCC(N)Cc1ccc2c(ccn2CC2CCCO2)c1.
What is the InChIKey of 1-[1-(oxolan-2-ylmethyl)indol-5-yl]butan-2-amine?
The InChIKey is RKSHZMWOGWEKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-15(18)11-13-5-6-17-14(10-13)7-8-19(17)12-16-4-3-9-20-16/h5-8,10,15-16H,2-4,9,11-12,18H2,1H3.
What are the key properties of 1-[1-(oxolan-2-ylmethyl)indol-5-yl]butan-2-amine?
1-[1-(oxolan-2-ylmethyl)indol-5-yl]butan-2-amine has a molecular weight of 272.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-ylmethyl)indol-5-yl]butan-2-amine is sourced from PubChem (CID 102917685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).