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

C9H17NO — CID 139430120

IUPAC(2-propyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol
SMILESCCCN1CC2CC1(CO)C2
InChIInChI=1S/C9H17NO/c1-2-3-10-6-8-4-9(10,5-8)7-11/h8,11H,2-7H2,1H3
InChIKeyARDOPIFSVJWKEI-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.85
Rot. Bonds3

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

(2-propyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol (PubChem CID 139430120) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2-propyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol.

Molecular Properties

Compound Name(2-propyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol
PubChem CID139430120
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2-propyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol
SMILESCCCN1CC2CC1(CO)C2
InChIInChI=1S/C9H17NO/c1-2-3-10-6-8-4-9(10,5-8)7-11/h8,11H,2-7H2,1H3
InChIKeyARDOPIFSVJWKEI-UHFFFAOYSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

2-propyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
CID 10932632
[2-(cyclopropylmethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol
CID 164654921
1-(difluoromethyl)-2-propyl-2-azabicyclo[2.1.1]hexane
CID 178026347
[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azabicyclo[2.2.1]heptan-1-yl]methanol
CID 167962561
3-[2-(5-methylhexyl)-2-azabicyclo[2.1.1]hexan-1-yl]propanoic acid
CID 146077097
(2S,3R,6R)-4-propyl-4-azaspiro[2.4]heptane-2,6-diol
CID 163743712
8-propan-2-yl-6-propyl-6,9-diazaspiro[4.5]decane
CID 64839855
(3-ethylsulfonyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol
CID 131154644
1-(difluoromethyl)-2-ethyl-2-azabicyclo[2.1.1]hexane;ethane
CID 177005803
[7-(hydroxymethyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]methanol
CID 139437917
3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane
CID 64849927
1-propylaziridine-2-carboxylic acid
CID 59817296

Frequently Asked Questions

What is the IUPAC name of (2-propyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol?
The IUPAC name of (2-propyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol (CID 139430120) is (2-propyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol.
What is the SMILES notation for (2-propyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol?
The canonical SMILES for (2-propyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol is CCCN1CC2CC1(CO)C2.
What is the InChIKey of (2-propyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol?
The InChIKey is ARDOPIFSVJWKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-10-6-8-4-9(10,5-8)7-11/h8,11H,2-7H2,1H3.
What are the key properties of (2-propyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol?
(2-propyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol has a molecular weight of 155.24 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-propyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol is sourced from PubChem (CID 139430120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).