4-(oxan-2-ylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

C18H34N2O — CID 64875697

IUPAC4-(oxan-2-ylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)C1CNC2(CCCCC2)CN1CC1CCCCO1
InChIInChI=1S/C18H34N2O/c1-15(2)17-12-19-18(9-5-3-6-10-18)14-20(17)13-16-8-4-7-11-21-16/h15-17,19H,3-14H2,1-2H3
InChIKeySXHRXBAURPGCGH-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.19
Rot. Bonds3

About 4-(oxan-2-ylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

4-(oxan-2-ylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (PubChem CID 64875697) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 4-(oxan-2-ylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(oxan-2-ylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
PubChem CID64875697
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name4-(oxan-2-ylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)C1CNC2(CCCCC2)CN1CC1CCCCO1
InChIInChI=1S/C18H34N2O/c1-15(2)17-12-19-18(9-5-3-6-10-18)14-20(17)13-16-8-4-7-11-21-16/h15-17,19H,3-14H2,1-2H3
InChIKeySXHRXBAURPGCGH-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64947296
9-[3-(oxolan-2-yl)propyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 65170041
8-ethyl-9-(oxan-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877745
9-[(1-methylpiperidin-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64946727
4-cycloheptyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64934612
9-[(1-methylpiperidin-3-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64947685
3,3-dimethyl-4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64877631
3-butan-2-yl-4-(cyclopropylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64877428
9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 115327089
N,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine
CID 64946582
9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64878139
9-(2-ethoxyethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64878522

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-ylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(oxan-2-ylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (CID 64875697) is 4-(oxan-2-ylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(oxan-2-ylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(oxan-2-ylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is CC(C)C1CNC2(CCCCC2)CN1CC1CCCCO1.
What is the InChIKey of 4-(oxan-2-ylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The InChIKey is SXHRXBAURPGCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-15(2)17-12-19-18(9-5-3-6-10-18)14-20(17)13-16-8-4-7-11-21-16/h15-17,19H,3-14H2,1-2H3.
What are the key properties of 4-(oxan-2-ylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
4-(oxan-2-ylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane has a molecular weight of 294.48 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-ylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64875697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).