2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane

C10H18 — CID 59907316

IUPAC2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
SMILES[2H]C(C)(C)C1CC2CCC1C2
InChIInChI=1S/C10H18/c1-7(2)10-6-8-3-4-9(10)5-8/h7-10H,3-6H2,1-2H3/i7D
InChIKeySPDGGMLOTGMUGR-WHRKIXHSSA-N
MW139.26 g/mol
LogP3.08
Rot. Bonds1

About 2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane

2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane (PubChem CID 59907316) has the molecular formula C10H18 and a molecular weight of 139.26 g/mol. Its IUPAC name is 2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
PubChem CID59907316
Molecular FormulaC10H18
Molecular Weight139.26 g/mol
Exact Mass139.15
IUPAC Name2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
SMILES[2H]C(C)(C)C1CC2CCC1C2
InChIInChI=1S/C10H18/c1-7(2)10-6-8-3-4-9(10)5-8/h7-10H,3-6H2,1-2H3/i7D
InChIKeySPDGGMLOTGMUGR-WHRKIXHSSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane
CID 153320266
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675
(1R)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 130127391
2-(dibromomethyl)bicyclo[2.2.1]heptane
CID 68736675
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723595
2-(6-methylheptan-2-yl)bicyclo[2.2.1]heptane
CID 91611699
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylpropan-1-amine
CID 124526543
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine
CID 98119580
1-(2-bicyclo[2.2.1]heptanyl)prop-2-en-1-ol
CID 115814815
amino(2-bicyclo[2.2.1]heptanyl)methanol
CID 166969475
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-N'-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,2,3,3-tetrafluorobutanediamide
CID 98271573

Frequently Asked Questions

What is the IUPAC name of 2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane (CID 59907316) is 2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane is [2H]C(C)(C)C1CC2CCC1C2.
What is the InChIKey of 2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane?
The InChIKey is SPDGGMLOTGMUGR-WHRKIXHSSA-N. The full InChI is InChI=1S/C10H18/c1-7(2)10-6-8-3-4-9(10)5-8/h7-10H,3-6H2,1-2H3/i7D.
What are the key properties of 2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane?
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane has a molecular weight of 139.26 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 59907316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).