(2S)-2-(cyclopropylmethyl)-2-ethyl-3-oxa-1-azaspiro[4.5]decane

C14H25NO — CID 138970169

IUPAC(2S)-2-(cyclopropylmethyl)-2-ethyl-3-oxa-1-azaspiro[4.5]decane
SMILESCC[C@]1(CC2CC2)NC2(CCCCC2)CO1
InChIInChI=1S/C14H25NO/c1-2-14(10-12-6-7-12)15-13(11-16-14)8-4-3-5-9-13/h12,15H,2-11H2,1H3/t14-/m0/s1
InChIKeyQFCXATFRDOZGCJ-AWEZNQCLSA-N
MW223.36 g/mol
LogP3.22
Rot. Bonds3

About (2S)-2-(cyclopropylmethyl)-2-ethyl-3-oxa-1-azaspiro[4.5]decane

(2S)-2-(cyclopropylmethyl)-2-ethyl-3-oxa-1-azaspiro[4.5]decane (PubChem CID 138970169) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2S)-2-(cyclopropylmethyl)-2-ethyl-3-oxa-1-azaspiro[4.5]decane.

Molecular Properties

Compound Name(2S)-2-(cyclopropylmethyl)-2-ethyl-3-oxa-1-azaspiro[4.5]decane
PubChem CID138970169
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2S)-2-(cyclopropylmethyl)-2-ethyl-3-oxa-1-azaspiro[4.5]decane
SMILESCC[C@]1(CC2CC2)NC2(CCCCC2)CO1
InChIInChI=1S/C14H25NO/c1-2-14(10-12-6-7-12)15-13(11-16-14)8-4-3-5-9-13/h12,15H,2-11H2,1H3/t14-/m0/s1
InChIKeyQFCXATFRDOZGCJ-AWEZNQCLSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopropylmethyl)-2-ethyl-3-oxa-1-azaspiro[4.5]decane?
The IUPAC name of (2S)-2-(cyclopropylmethyl)-2-ethyl-3-oxa-1-azaspiro[4.5]decane (CID 138970169) is (2S)-2-(cyclopropylmethyl)-2-ethyl-3-oxa-1-azaspiro[4.5]decane.
What is the SMILES notation for (2S)-2-(cyclopropylmethyl)-2-ethyl-3-oxa-1-azaspiro[4.5]decane?
The canonical SMILES for (2S)-2-(cyclopropylmethyl)-2-ethyl-3-oxa-1-azaspiro[4.5]decane is CC[C@]1(CC2CC2)NC2(CCCCC2)CO1.
What is the InChIKey of (2S)-2-(cyclopropylmethyl)-2-ethyl-3-oxa-1-azaspiro[4.5]decane?
The InChIKey is QFCXATFRDOZGCJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-14(10-12-6-7-12)15-13(11-16-14)8-4-3-5-9-13/h12,15H,2-11H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-(cyclopropylmethyl)-2-ethyl-3-oxa-1-azaspiro[4.5]decane?
(2S)-2-(cyclopropylmethyl)-2-ethyl-3-oxa-1-azaspiro[4.5]decane has a molecular weight of 223.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopropylmethyl)-2-ethyl-3-oxa-1-azaspiro[4.5]decane is sourced from PubChem (CID 138970169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).