2-methyl-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-ol

C13H26N2O — CID 126759684

IUPAC2-methyl-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-ol
SMILESCC(C)C(O)N1CCC2(CCN(C)CC2)C1
InChIInChI=1S/C13H26N2O/c1-11(2)12(16)15-9-6-13(10-15)4-7-14(3)8-5-13/h11-12,16H,4-10H2,1-3H3
InChIKeyPVFRQLFTGYDNGV-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.38
Rot. Bonds2

About 2-methyl-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-ol

2-methyl-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-ol (PubChem CID 126759684) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methyl-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-ol
PubChem CID126759684
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-methyl-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-ol
SMILESCC(C)C(O)N1CCC2(CCN(C)CC2)C1
InChIInChI=1S/C13H26N2O/c1-11(2)12(16)15-9-6-13(10-15)4-7-14(3)8-5-13/h11-12,16H,4-10H2,1-3H3
InChIKeyPVFRQLFTGYDNGV-UHFFFAOYSA-N
XLogP1.38
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-ol?
The IUPAC name of 2-methyl-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-ol (CID 126759684) is 2-methyl-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-ol?
The canonical SMILES for 2-methyl-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-ol is CC(C)C(O)N1CCC2(CCN(C)CC2)C1.
What is the InChIKey of 2-methyl-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-ol?
The InChIKey is PVFRQLFTGYDNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)12(16)15-9-6-13(10-15)4-7-14(3)8-5-13/h11-12,16H,4-10H2,1-3H3.
What are the key properties of 2-methyl-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-ol?
2-methyl-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-ol is sourced from PubChem (CID 126759684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).