N-[[1-(2-methylpropyl)indol-5-yl]methyl]oxan-4-amine

C18H26N2O — CID 175826876

IUPACN-[[1-(2-methylpropyl)indol-5-yl]methyl]oxan-4-amine
SMILESCC(C)Cn1ccc2cc(CNC3CCOCC3)ccc21
InChIInChI=1S/C18H26N2O/c1-14(2)13-20-8-5-16-11-15(3-4-18(16)20)12-19-17-6-9-21-10-7-17/h3-5,8,11,14,17,19H,6-7,9-10,12-13H2,1-2H3
InChIKeyOHORVRQEVCLAJB-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.57
Rot. Bonds5

About N-[[1-(2-methylpropyl)indol-5-yl]methyl]oxan-4-amine

N-[[1-(2-methylpropyl)indol-5-yl]methyl]oxan-4-amine (PubChem CID 175826876) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)indol-5-yl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)indol-5-yl]methyl]oxan-4-amine
PubChem CID175826876
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[[1-(2-methylpropyl)indol-5-yl]methyl]oxan-4-amine
SMILESCC(C)Cn1ccc2cc(CNC3CCOCC3)ccc21
InChIInChI=1S/C18H26N2O/c1-14(2)13-20-8-5-16-11-15(3-4-18(16)20)12-19-17-6-9-21-10-7-17/h3-5,8,11,14,17,19H,6-7,9-10,12-13H2,1-2H3
InChIKeyOHORVRQEVCLAJB-UHFFFAOYSA-N
XLogP3.57
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)indol-5-yl]methyl]oxan-4-amine?
The IUPAC name of N-[[1-(2-methylpropyl)indol-5-yl]methyl]oxan-4-amine (CID 175826876) is N-[[1-(2-methylpropyl)indol-5-yl]methyl]oxan-4-amine.
What is the SMILES notation for N-[[1-(2-methylpropyl)indol-5-yl]methyl]oxan-4-amine?
The canonical SMILES for N-[[1-(2-methylpropyl)indol-5-yl]methyl]oxan-4-amine is CC(C)Cn1ccc2cc(CNC3CCOCC3)ccc21.
What is the InChIKey of N-[[1-(2-methylpropyl)indol-5-yl]methyl]oxan-4-amine?
The InChIKey is OHORVRQEVCLAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14(2)13-20-8-5-16-11-15(3-4-18(16)20)12-19-17-6-9-21-10-7-17/h3-5,8,11,14,17,19H,6-7,9-10,12-13H2,1-2H3.
What are the key properties of N-[[1-(2-methylpropyl)indol-5-yl]methyl]oxan-4-amine?
N-[[1-(2-methylpropyl)indol-5-yl]methyl]oxan-4-amine has a molecular weight of 286.42 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)indol-5-yl]methyl]oxan-4-amine is sourced from PubChem (CID 175826876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).