2-methyl-3-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)butan-2-ol

C18H35NO — CID 70825643

IUPAC2-methyl-3-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)butan-2-ol
SMILESCC(C)N1CCC2(CCC(C(C)C(C)(C)O)CC2)CC1
InChIInChI=1S/C18H35NO/c1-14(2)19-12-10-18(11-13-19)8-6-16(7-9-18)15(3)17(4,5)20/h14-16,20H,6-13H2,1-5H3
InChIKeyHEXXCFVLQKSJDC-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.07
Rot. Bonds3

About 2-methyl-3-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)butan-2-ol

2-methyl-3-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)butan-2-ol (PubChem CID 70825643) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 2-methyl-3-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)butan-2-ol
PubChem CID70825643
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name2-methyl-3-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)butan-2-ol
SMILESCC(C)N1CCC2(CCC(C(C)C(C)(C)O)CC2)CC1
InChIInChI=1S/C18H35NO/c1-14(2)19-12-10-18(11-13-19)8-6-16(7-9-18)15(3)17(4,5)20/h14-16,20H,6-13H2,1-5H3
InChIKeyHEXXCFVLQKSJDC-UHFFFAOYSA-N
XLogP4.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)butan-2-ol?
The IUPAC name of 2-methyl-3-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)butan-2-ol (CID 70825643) is 2-methyl-3-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)butan-2-ol.
What is the SMILES notation for 2-methyl-3-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)butan-2-ol?
The canonical SMILES for 2-methyl-3-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)butan-2-ol is CC(C)N1CCC2(CCC(C(C)C(C)(C)O)CC2)CC1.
What is the InChIKey of 2-methyl-3-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)butan-2-ol?
The InChIKey is HEXXCFVLQKSJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-14(2)19-12-10-18(11-13-19)8-6-16(7-9-18)15(3)17(4,5)20/h14-16,20H,6-13H2,1-5H3.
What are the key properties of 2-methyl-3-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)butan-2-ol?
2-methyl-3-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)butan-2-ol has a molecular weight of 281.48 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)butan-2-ol is sourced from PubChem (CID 70825643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).