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

C10H17NO — CID 164654921

IUPAC[2-(cyclopropylmethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol
SMILESOCC12CC(CN1CC1CC1)C2
InChIInChI=1S/C10H17NO/c12-7-10-3-9(4-10)6-11(10)5-8-1-2-8/h8-9,12H,1-7H2
InChIKeyIAINKHCTYRZNQO-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.85
Rot. Bonds3

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

[2-(cyclopropylmethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol (PubChem CID 164654921) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is [2-(cyclopropylmethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol.

Molecular Properties

Compound Name[2-(cyclopropylmethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol
PubChem CID164654921
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name[2-(cyclopropylmethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol
SMILESOCC12CC(CN1CC1CC1)C2
InChIInChI=1S/C10H17NO/c12-7-10-3-9(4-10)6-11(10)5-8-1-2-8/h8-9,12H,1-7H2
InChIKeyIAINKHCTYRZNQO-UHFFFAOYSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-propyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol
CID 139430120
[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azabicyclo[2.2.1]heptan-1-yl]methanol
CID 167962561
(3S,4S)-1-(cyclopropylmethyl)pyrrolidine-3,4-dicarboxylic acid
CID 164643865
3-[2-(5-methylhexyl)-2-azabicyclo[2.1.1]hexan-1-yl]propanoic acid
CID 146077097
[4-methyl-1-(3-methylazetidin-1-yl)cyclohexyl]methanol
CID 104549467
2-propyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
CID 10932632
[1-(cyclopropylmethyl)-3-fluoropiperidin-3-yl]methanol
CID 130666200
5-benzyl-2-cyclopropyl-1-(cyclopropylmethyl)-2-methylpiperazine
CID 64848984
[(2R)-1-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 97228617
(3S)-1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-3-ol
CID 146660208
1-(cyclopropylmethyl)-2,2-diethyl-5-propylpiperazine
CID 64840755
[2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol
CID 175667967

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol?
The IUPAC name of [2-(cyclopropylmethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol (CID 164654921) is [2-(cyclopropylmethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol.
What is the SMILES notation for [2-(cyclopropylmethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol?
The canonical SMILES for [2-(cyclopropylmethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol is OCC12CC(CN1CC1CC1)C2.
What is the InChIKey of [2-(cyclopropylmethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol?
The InChIKey is IAINKHCTYRZNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c12-7-10-3-9(4-10)6-11(10)5-8-1-2-8/h8-9,12H,1-7H2.
What are the key properties of [2-(cyclopropylmethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol?
[2-(cyclopropylmethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol has a molecular weight of 167.25 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol is sourced from PubChem (CID 164654921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).