7-propan-2-yl-3-propyl-1-oxa-3,7-diazaspiro[4.4]nonane

C12H24N2O — CID 176693517

IUPAC7-propan-2-yl-3-propyl-1-oxa-3,7-diazaspiro[4.4]nonane
SMILESCCCN1COC2(CCN(C(C)C)C2)C1
InChIInChI=1S/C12H24N2O/c1-4-6-13-8-12(15-10-13)5-7-14(9-12)11(2)3/h11H,4-10H2,1-3H3
InChIKeyLTTAXPBHDLDPET-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.54
Rot. Bonds3

About 7-propan-2-yl-3-propyl-1-oxa-3,7-diazaspiro[4.4]nonane

7-propan-2-yl-3-propyl-1-oxa-3,7-diazaspiro[4.4]nonane (PubChem CID 176693517) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 7-propan-2-yl-3-propyl-1-oxa-3,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name7-propan-2-yl-3-propyl-1-oxa-3,7-diazaspiro[4.4]nonane
PubChem CID176693517
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name7-propan-2-yl-3-propyl-1-oxa-3,7-diazaspiro[4.4]nonane
SMILESCCCN1COC2(CCN(C(C)C)C2)C1
InChIInChI=1S/C12H24N2O/c1-4-6-13-8-12(15-10-13)5-7-14(9-12)11(2)3/h11H,4-10H2,1-3H3
InChIKeyLTTAXPBHDLDPET-UHFFFAOYSA-N
XLogP1.54
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-3-propyl-1-oxa-3,7-diazaspiro[4.4]nonane?
The IUPAC name of 7-propan-2-yl-3-propyl-1-oxa-3,7-diazaspiro[4.4]nonane (CID 176693517) is 7-propan-2-yl-3-propyl-1-oxa-3,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 7-propan-2-yl-3-propyl-1-oxa-3,7-diazaspiro[4.4]nonane?
The canonical SMILES for 7-propan-2-yl-3-propyl-1-oxa-3,7-diazaspiro[4.4]nonane is CCCN1COC2(CCN(C(C)C)C2)C1.
What is the InChIKey of 7-propan-2-yl-3-propyl-1-oxa-3,7-diazaspiro[4.4]nonane?
The InChIKey is LTTAXPBHDLDPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-6-13-8-12(15-10-13)5-7-14(9-12)11(2)3/h11H,4-10H2,1-3H3.
What are the key properties of 7-propan-2-yl-3-propyl-1-oxa-3,7-diazaspiro[4.4]nonane?
7-propan-2-yl-3-propyl-1-oxa-3,7-diazaspiro[4.4]nonane has a molecular weight of 212.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-3-propyl-1-oxa-3,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 176693517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).