8-(cyclopropylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C14H24N2O — CID 134788453

IUPAC8-(cyclopropylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC(C)C1=NOC2(CCN(CC3CC3)CC2)C1
InChIInChI=1S/C14H24N2O/c1-11(2)13-9-14(17-15-13)5-7-16(8-6-14)10-12-3-4-12/h11-12H,3-10H2,1-2H3
InChIKeyYVWPDVPZXVEMJE-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.66
Rot. Bonds3

About 8-(cyclopropylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

8-(cyclopropylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 134788453) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID134788453
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name8-(cyclopropylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC(C)C1=NOC2(CCN(CC3CC3)CC2)C1
InChIInChI=1S/C14H24N2O/c1-11(2)13-9-14(17-15-13)5-7-16(8-6-14)10-12-3-4-12/h11-12H,3-10H2,1-2H3
InChIKeyYVWPDVPZXVEMJE-UHFFFAOYSA-N
XLogP2.66
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 8-(cyclopropylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 134788453) is 8-(cyclopropylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8-(cyclopropylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 8-(cyclopropylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is CC(C)C1=NOC2(CCN(CC3CC3)CC2)C1.
What is the InChIKey of 8-(cyclopropylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is YVWPDVPZXVEMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)13-9-14(17-15-13)5-7-16(8-6-14)10-12-3-4-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 8-(cyclopropylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
8-(cyclopropylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 236.36 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 134788453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).