[6-amino-3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol

C11H22N2O — CID 155370573

IUPAC[6-amino-3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESCCC(C)(C)N1CC2C(C1)C2(N)CO
InChIInChI=1S/C11H22N2O/c1-4-10(2,3)13-5-8-9(6-13)11(8,12)7-14/h8-9,14H,4-7,12H2,1-3H3
InChIKeyHFZPCDMDPCLTDZ-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.43
Rot. Bonds3

About [6-amino-3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol

[6-amino-3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol (PubChem CID 155370573) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is [6-amino-3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol.

Molecular Properties

Compound Name[6-amino-3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
PubChem CID155370573
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name[6-amino-3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESCCC(C)(C)N1CC2C(C1)C2(N)CO
InChIInChI=1S/C11H22N2O/c1-4-10(2,3)13-5-8-9(6-13)11(8,12)7-14/h8-9,14H,4-7,12H2,1-3H3
InChIKeyHFZPCDMDPCLTDZ-UHFFFAOYSA-N
XLogP0.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-amino-3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The IUPAC name of [6-amino-3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol (CID 155370573) is [6-amino-3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol.
What is the SMILES notation for [6-amino-3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The canonical SMILES for [6-amino-3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol is CCC(C)(C)N1CC2C(C1)C2(N)CO.
What is the InChIKey of [6-amino-3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The InChIKey is HFZPCDMDPCLTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-10(2,3)13-5-8-9(6-13)11(8,12)7-14/h8-9,14H,4-7,12H2,1-3H3.
What are the key properties of [6-amino-3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
[6-amino-3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol has a molecular weight of 198.31 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol is sourced from PubChem (CID 155370573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).