(4-methyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol

C7H13NO — CID 154842428

IUPAC(4-methyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol
SMILESCC12CNC(CO)(C1)C2
InChIInChI=1S/C7H13NO/c1-6-2-7(3-6,5-9)8-4-6/h8-9H,2-5H2,1H3
InChIKeyZPRYQRLMWOROKJ-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.12
Rot. Bonds1

About (4-methyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol

(4-methyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol (PubChem CID 154842428) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (4-methyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol.

Molecular Properties

Compound Name(4-methyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol
PubChem CID154842428
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(4-methyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol
SMILESCC12CNC(CO)(C1)C2
InChIInChI=1S/C7H13NO/c1-6-2-7(3-6,5-9)8-4-6/h8-9H,2-5H2,1H3
InChIKeyZPRYQRLMWOROKJ-UHFFFAOYSA-N
XLogP0.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-2-pyrrolidinemethanol
CID 558401
(4,4-Dimethylpyrrolidin-2-yl)methanol
CID 55299054
((2S)-2-methylpyrrolidin-2-yl)methanol
CID 14223700
(2-Azabicyclo(2.1.1)hexan-1-yl)methanol
CID 11366969
((2R)-2-methylpyrrolidin-2-yl)methanol hydrochloride
CID 91825932
{4-Ethyl-2-azabicyclo[2.1.1]hexan-1-yl}methanol hydrochloride
CID 155973247
[4-(Methoxymethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol hydrochloride
CID 155973546
{3-Methyl-2-azabicyclo[2.1.1]hexan-1-yl}methanol hydrochloride
CID 165665572
[4-(Difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol hydrochloride
CID 165818450
(S)-(4,4-Dimethylpyrrolidin-2-yl)methanol
CID 55285147
{2-Azabicyclo[2.1.1]hexan-4-yl}methanol
CID 142556931
(4-Fluoro-2-azabicyclo[2.1.1]hexan-1-yl)methanol
CID 156704489

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol?
The IUPAC name of (4-methyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol (CID 154842428) is (4-methyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol.
What is the SMILES notation for (4-methyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol?
The canonical SMILES for (4-methyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol is CC12CNC(CO)(C1)C2.
What is the InChIKey of (4-methyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol?
The InChIKey is ZPRYQRLMWOROKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-2-7(3-6,5-9)8-4-6/h8-9H,2-5H2,1H3.
What are the key properties of (4-methyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol?
(4-methyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol has a molecular weight of 127.19 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol is sourced from PubChem (CID 154842428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).