[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-5-yl]methanamine

C18H24N2O — CID 102901200

IUPAC[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-5-yl]methanamine
SMILESNCc1ccc2c(ccn2CC2CCC3(CCCC3)O2)c1
InChIInChI=1S/C18H24N2O/c19-12-14-3-4-17-15(11-14)6-10-20(17)13-16-5-9-18(21-16)7-1-2-8-18/h3-4,6,10-11,16H,1-2,5,7-9,12-13,19H2
InChIKeyBYTRDVZXWRHICX-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.59
Rot. Bonds3

About [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-5-yl]methanamine

[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-5-yl]methanamine (PubChem CID 102901200) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-5-yl]methanamine
PubChem CID102901200
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-5-yl]methanamine
SMILESNCc1ccc2c(ccn2CC2CCC3(CCCC3)O2)c1
InChIInChI=1S/C18H24N2O/c19-12-14-3-4-17-15(11-14)6-10-20(17)13-16-5-9-18(21-16)7-1-2-8-18/h3-4,6,10-11,16H,1-2,5,7-9,12-13,19H2
InChIKeyBYTRDVZXWRHICX-UHFFFAOYSA-N
XLogP3.59
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-5-yl]methanamine?
The IUPAC name of [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-5-yl]methanamine (CID 102901200) is [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-5-yl]methanamine.
What is the SMILES notation for [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-5-yl]methanamine?
The canonical SMILES for [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-5-yl]methanamine is NCc1ccc2c(ccn2CC2CCC3(CCCC3)O2)c1.
What is the InChIKey of [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-5-yl]methanamine?
The InChIKey is BYTRDVZXWRHICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c19-12-14-3-4-17-15(11-14)6-10-20(17)13-16-5-9-18(21-16)7-1-2-8-18/h3-4,6,10-11,16H,1-2,5,7-9,12-13,19H2.
What are the key properties of [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-5-yl]methanamine?
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-5-yl]methanamine has a molecular weight of 284.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-5-yl]methanamine is sourced from PubChem (CID 102901200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).