(2,4,6-trimethyl-1-azabicyclo[2.2.0]hexan-3-yl)methanol

C9H17NO — CID 175637338

IUPAC(2,4,6-trimethyl-1-azabicyclo[2.2.0]hexan-3-yl)methanol
SMILESCC1CC2(C)C(CO)C(C)N12
InChIInChI=1S/C9H17NO/c1-6-4-9(3)8(5-11)7(2)10(6)9/h6-8,11H,4-5H2,1-3H3
InChIKeyQSFHYYWGUFXDSB-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.85
Rot. Bonds1

About (2,4,6-trimethyl-1-azabicyclo[2.2.0]hexan-3-yl)methanol

(2,4,6-trimethyl-1-azabicyclo[2.2.0]hexan-3-yl)methanol (PubChem CID 175637338) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2,4,6-trimethyl-1-azabicyclo[2.2.0]hexan-3-yl)methanol.

Molecular Properties

Compound Name(2,4,6-trimethyl-1-azabicyclo[2.2.0]hexan-3-yl)methanol
PubChem CID175637338
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2,4,6-trimethyl-1-azabicyclo[2.2.0]hexan-3-yl)methanol
SMILESCC1CC2(C)C(CO)C(C)N12
InChIInChI=1S/C9H17NO/c1-6-4-9(3)8(5-11)7(2)10(6)9/h6-8,11H,4-5H2,1-3H3
InChIKeyQSFHYYWGUFXDSB-UHFFFAOYSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethyl-1-azabicyclo[2.2.0]hexan-3-yl)methanol?
The IUPAC name of (2,4,6-trimethyl-1-azabicyclo[2.2.0]hexan-3-yl)methanol (CID 175637338) is (2,4,6-trimethyl-1-azabicyclo[2.2.0]hexan-3-yl)methanol.
What is the SMILES notation for (2,4,6-trimethyl-1-azabicyclo[2.2.0]hexan-3-yl)methanol?
The canonical SMILES for (2,4,6-trimethyl-1-azabicyclo[2.2.0]hexan-3-yl)methanol is CC1CC2(C)C(CO)C(C)N12.
What is the InChIKey of (2,4,6-trimethyl-1-azabicyclo[2.2.0]hexan-3-yl)methanol?
The InChIKey is QSFHYYWGUFXDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-6-4-9(3)8(5-11)7(2)10(6)9/h6-8,11H,4-5H2,1-3H3.
What are the key properties of (2,4,6-trimethyl-1-azabicyclo[2.2.0]hexan-3-yl)methanol?
(2,4,6-trimethyl-1-azabicyclo[2.2.0]hexan-3-yl)methanol has a molecular weight of 155.24 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethyl-1-azabicyclo[2.2.0]hexan-3-yl)methanol is sourced from PubChem (CID 175637338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).