(2-methyl-2-azabicyclo[2.1.1]hexan-4-yl)methanol

C7H13NO — CID 177009446

IUPAC(2-methyl-2-azabicyclo[2.1.1]hexan-4-yl)methanol
SMILESCN1CC2(CO)CC1C2
InChIInChI=1S/C7H13NO/c1-8-4-7(5-9)2-6(8)3-7/h6,9H,2-5H2,1H3
InChIKeyVMBLSABANFGEJG-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.07
Rot. Bonds1

About (2-methyl-2-azabicyclo[2.1.1]hexan-4-yl)methanol

(2-methyl-2-azabicyclo[2.1.1]hexan-4-yl)methanol (PubChem CID 177009446) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2-methyl-2-azabicyclo[2.1.1]hexan-4-yl)methanol.

Molecular Properties

Compound Name(2-methyl-2-azabicyclo[2.1.1]hexan-4-yl)methanol
PubChem CID177009446
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2-methyl-2-azabicyclo[2.1.1]hexan-4-yl)methanol
SMILESCN1CC2(CO)CC1C2
InChIInChI=1S/C7H13NO/c1-8-4-7(5-9)2-6(8)3-7/h6,9H,2-5H2,1H3
InChIKeyVMBLSABANFGEJG-UHFFFAOYSA-N
XLogP0.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methyl-4-(3-methylbutyl)-2-azabicyclo[2.1.1]hexane
CID 177009411
(1,3,5-trimethylpyrrolidin-3-yl)methanol
CID 72524820
(5-methyl-5-azaspiro[2.3]hexan-2-yl)methanol
CID 84647955
5-(hydroxymethyl)-1-methylpyrrolidine-3,3-diol
CID 57027107
(1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-4-amine
CID 167134996
(1S,5R)-1,3,3,6-tetramethyl-6-azabicyclo[3.2.1]octane
CID 59895923
tert-butyl (1R,4R)-4-(hydroxymethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 155905577
(3-amino-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 61056846
(4,4-difluoro-1-methylpyrrolidin-2-yl)methanol;tungsten
CID 170766869
1-adamantylmethanol;hydrochloride
CID 141053946
3-(hydroxymethyl)-1-methylazetidine-3-carbonitrile
CID 166914903
3-(2-hydroxyethyl)-1,5-dimethylpyrrolidin-3-ol
CID 178127919

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-azabicyclo[2.1.1]hexan-4-yl)methanol?
The IUPAC name of (2-methyl-2-azabicyclo[2.1.1]hexan-4-yl)methanol (CID 177009446) is (2-methyl-2-azabicyclo[2.1.1]hexan-4-yl)methanol.
What is the SMILES notation for (2-methyl-2-azabicyclo[2.1.1]hexan-4-yl)methanol?
The canonical SMILES for (2-methyl-2-azabicyclo[2.1.1]hexan-4-yl)methanol is CN1CC2(CO)CC1C2.
What is the InChIKey of (2-methyl-2-azabicyclo[2.1.1]hexan-4-yl)methanol?
The InChIKey is VMBLSABANFGEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-4-7(5-9)2-6(8)3-7/h6,9H,2-5H2,1H3.
What are the key properties of (2-methyl-2-azabicyclo[2.1.1]hexan-4-yl)methanol?
(2-methyl-2-azabicyclo[2.1.1]hexan-4-yl)methanol has a molecular weight of 127.19 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-azabicyclo[2.1.1]hexan-4-yl)methanol is sourced from PubChem (CID 177009446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).