N-[[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methyl]ethanamine

C18H26N2O — CID 65165636

IUPACN-[[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methyl]ethanamine
SMILESCCNCc1ccc2ccn(CCCC3CCCO3)c2c1
InChIInChI=1S/C18H26N2O/c1-2-19-14-15-7-8-16-9-11-20(18(16)13-15)10-3-5-17-6-4-12-21-17/h7-9,11,13,17,19H,2-6,10,12,14H2,1H3
InChIKeyCGAYRKDYTUMYAP-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.71
Rot. Bonds7

About N-[[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methyl]ethanamine

N-[[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methyl]ethanamine (PubChem CID 65165636) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methyl]ethanamine
PubChem CID65165636
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methyl]ethanamine
SMILESCCNCc1ccc2ccn(CCCC3CCCO3)c2c1
InChIInChI=1S/C18H26N2O/c1-2-19-14-15-7-8-16-9-11-20(18(16)13-15)10-3-5-17-6-4-12-21-17/h7-9,11,13,17,19H,2-6,10,12,14H2,1H3
InChIKeyCGAYRKDYTUMYAP-UHFFFAOYSA-N
XLogP3.71
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methanamine
CID 65165019
N-[[1-[2-(oxolan-2-yl)ethyl]indol-6-yl]methyl]cyclopropanamine
CID 65165692
[1-[3-(oxolan-2-yl)propyl]indol-5-yl]methanamine
CID 65164965
3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 102916680
5-ethoxy-1-[3-(oxolan-2-yl)propyl]indole
CID 116623986
7-ethyl-1-[3-(oxolan-2-yl)propyl]indole
CID 116618876
N-[[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 65158637
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine
CID 102916721
N-[[1-(2-imidazol-1-ylethyl)indol-6-yl]methyl]ethanamine
CID 102916703
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 61432117
3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
CID 102915831
2-[6-(ethylaminomethyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 102916734

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methyl]ethanamine (CID 65165636) is N-[[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methyl]ethanamine is CCNCc1ccc2ccn(CCCC3CCCO3)c2c1.
What is the InChIKey of N-[[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methyl]ethanamine?
The InChIKey is CGAYRKDYTUMYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-19-14-15-7-8-16-9-11-20(18(16)13-15)10-3-5-17-6-4-12-21-17/h7-9,11,13,17,19H,2-6,10,12,14H2,1H3.
What are the key properties of N-[[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methyl]ethanamine?
N-[[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methyl]ethanamine has a molecular weight of 286.42 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methyl]ethanamine is sourced from PubChem (CID 65165636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).