(1R,2S,5R)-2-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]-5-methylcyclohexan-1-ol

C18H33NO — CID 11076817

IUPAC(1R,2S,5R)-2-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]-5-methylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](C(C)(C)N2C[C@H]3CC(C)(C)[C@H]3C2)[C@H](O)C1
InChIInChI=1S/C18H33NO/c1-12-6-7-14(16(20)8-12)18(4,5)19-10-13-9-17(2,3)15(13)11-19/h12-16,20H,6-11H2,1-5H3/t12-,13-,14-,15+,16-/m1/s1
InChIKeyVNZNFBSYQONLJL-DGXTUMSLSA-N
MW279.47 g/mol
LogP3.54
Rot. Bonds2

About (1R,2S,5R)-2-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]-5-methylcyclohexan-1-ol

(1R,2S,5R)-2-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]-5-methylcyclohexan-1-ol (PubChem CID 11076817) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is (1R,2S,5R)-2-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-2-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]-5-methylcyclohexan-1-ol
PubChem CID11076817
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name(1R,2S,5R)-2-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]-5-methylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](C(C)(C)N2C[C@H]3CC(C)(C)[C@H]3C2)[C@H](O)C1
InChIInChI=1S/C18H33NO/c1-12-6-7-14(16(20)8-12)18(4,5)19-10-13-9-17(2,3)15(13)11-19/h12-16,20H,6-11H2,1-5H3/t12-,13-,14-,15+,16-/m1/s1
InChIKeyVNZNFBSYQONLJL-DGXTUMSLSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2S,5R)-2-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]-5-methylcyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-2-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-2-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]-5-methylcyclohexan-1-ol (CID 11076817) is (1R,2S,5R)-2-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]-5-methylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-2-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-2-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]-5-methylcyclohexan-1-ol is C[C@@H]1CC[C@@H](C(C)(C)N2C[C@H]3CC(C)(C)[C@H]3C2)[C@H](O)C1.
What is the InChIKey of (1R,2S,5R)-2-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
The InChIKey is VNZNFBSYQONLJL-DGXTUMSLSA-N. The full InChI is InChI=1S/C18H33NO/c1-12-6-7-14(16(20)8-12)18(4,5)19-10-13-9-17(2,3)15(13)11-19/h12-16,20H,6-11H2,1-5H3/t12-,13-,14-,15+,16-/m1/s1.
What are the key properties of (1R,2S,5R)-2-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
(1R,2S,5R)-2-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]-5-methylcyclohexan-1-ol has a molecular weight of 279.47 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-2-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]-5-methylcyclohexan-1-ol is sourced from PubChem (CID 11076817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).