2-(2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)ethanol

C11H21NO — CID 14396107

IUPAC2-(2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)ethanol
SMILESCC1(C)C2CC(CCO)C(N)C1C2
InChIInChI=1S/C11H21NO/c1-11(2)8-5-7(3-4-13)10(12)9(11)6-8/h7-10,13H,3-6,12H2,1-2H3
InChIKeyPDPVGSJZVCWIKP-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.38
Rot. Bonds2

About 2-(2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)ethanol

2-(2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)ethanol (PubChem CID 14396107) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)ethanol.

Molecular Properties

Compound Name2-(2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)ethanol
PubChem CID14396107
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)ethanol
SMILESCC1(C)C2CC(CCO)C(N)C1C2
InChIInChI=1S/C11H21NO/c1-11(2)8-5-7(3-4-13)10(12)9(11)6-8/h7-10,13H,3-6,12H2,1-2H3
InChIKeyPDPVGSJZVCWIKP-UHFFFAOYSA-N
XLogP1.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)ethanol?
The IUPAC name of 2-(2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)ethanol (CID 14396107) is 2-(2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)ethanol.
What is the SMILES notation for 2-(2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)ethanol?
The canonical SMILES for 2-(2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)ethanol is CC1(C)C2CC(CCO)C(N)C1C2.
What is the InChIKey of 2-(2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)ethanol?
The InChIKey is PDPVGSJZVCWIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2)8-5-7(3-4-13)10(12)9(11)6-8/h7-10,13H,3-6,12H2,1-2H3.
What are the key properties of 2-(2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)ethanol?
2-(2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)ethanol has a molecular weight of 183.29 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)ethanol is sourced from PubChem (CID 14396107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).