(1R)-1-[(1R,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]-2-methylpropan-1-ol

C13H25NO — CID 25052814

IUPAC(1R)-1-[(1R,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]-2-methylpropan-1-ol
SMILESCC(C)[C@@H](O)[C@H]1C[C@H]2C[C@@H]([C@@H]1N)C2(C)C
InChIInChI=1S/C13H25NO/c1-7(2)12(15)9-5-8-6-10(11(9)14)13(8,3)4/h7-12,15H,5-6,14H2,1-4H3/t8-,9-,10-,11+,12+/m0/s1
InChIKeyUHIWNRBBLDZQKX-KKJSVHSVSA-N
MW211.35 g/mol
LogP2.01
Rot. Bonds2

About (1R)-1-[(1R,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]-2-methylpropan-1-ol

(1R)-1-[(1R,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]-2-methylpropan-1-ol (PubChem CID 25052814) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (1R)-1-[(1R,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(1R,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]-2-methylpropan-1-ol
PubChem CID25052814
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(1R)-1-[(1R,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]-2-methylpropan-1-ol
SMILESCC(C)[C@@H](O)[C@H]1C[C@H]2C[C@@H]([C@@H]1N)C2(C)C
InChIInChI=1S/C13H25NO/c1-7(2)12(15)9-5-8-6-10(11(9)14)13(8,3)4/h7-12,15H,5-6,14H2,1-4H3/t8-,9-,10-,11+,12+/m0/s1
InChIKeyUHIWNRBBLDZQKX-KKJSVHSVSA-N
XLogP2.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R)-1-[(1R,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1R,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]-2-methylpropan-1-ol?
The IUPAC name of (1R)-1-[(1R,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]-2-methylpropan-1-ol (CID 25052814) is (1R)-1-[(1R,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]-2-methylpropan-1-ol.
What is the SMILES notation for (1R)-1-[(1R,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]-2-methylpropan-1-ol?
The canonical SMILES for (1R)-1-[(1R,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]-2-methylpropan-1-ol is CC(C)[C@@H](O)[C@H]1C[C@H]2C[C@@H]([C@@H]1N)C2(C)C.
What is the InChIKey of (1R)-1-[(1R,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]-2-methylpropan-1-ol?
The InChIKey is UHIWNRBBLDZQKX-KKJSVHSVSA-N. The full InChI is InChI=1S/C13H25NO/c1-7(2)12(15)9-5-8-6-10(11(9)14)13(8,3)4/h7-12,15H,5-6,14H2,1-4H3/t8-,9-,10-,11+,12+/m0/s1.
What are the key properties of (1R)-1-[(1R,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]-2-methylpropan-1-ol?
(1R)-1-[(1R,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]-2-methylpropan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1R,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 25052814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).