N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride

C15H25ClN2OS — CID 128997787

IUPACN-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride
SMILESCOCCN(Cc1ccsc1)C1CC12CCNCC2.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-18-8-7-17(11-13-2-9-19-12-13)14-10-15(14)3-5-16-6-4-15;/h2,9,12,14,16H,3-8,10-11H2,1H3;1H
InChIKeyDCBVQWVHEHHTDZ-UHFFFAOYSA-N
MW316.90 g/mol
LogP2.76
Rot. Bonds6

About N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride

N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride (PubChem CID 128997787) has the molecular formula C15H25ClN2OS and a molecular weight of 316.90 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride
PubChem CID128997787
Molecular FormulaC15H25ClN2OS
Molecular Weight316.90 g/mol
Exact Mass316.14
IUPAC NameN-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride
SMILESCOCCN(Cc1ccsc1)C1CC12CCNCC2.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-18-8-7-17(11-13-2-9-19-12-13)14-10-15(14)3-5-16-6-4-15;/h2,9,12,14,16H,3-8,10-11H2,1H3;1H
InChIKeyDCBVQWVHEHHTDZ-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.90
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride?
The IUPAC name of N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride (CID 128997787) is N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride.
What is the SMILES notation for N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride?
The canonical SMILES for N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride is COCCN(Cc1ccsc1)C1CC12CCNCC2.Cl.
What is the InChIKey of N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride?
The InChIKey is DCBVQWVHEHHTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS.ClH/c1-18-8-7-17(11-13-2-9-19-12-13)14-10-15(14)3-5-16-6-4-15;/h2,9,12,14,16H,3-8,10-11H2,1H3;1H.
What are the key properties of N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride?
N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride has a molecular weight of 316.90 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride is sourced from PubChem (CID 128997787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).