N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-methylmethanamine

C9H17NO — CID 99908285

IUPACN-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-methylmethanamine
SMILESCN(C)O[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C9H17NO/c1-10(2)11-9-6-7-3-4-8(9)5-7/h7-9H,3-6H2,1-2H3/t7-,8-,9-/m1/s1
InChIKeyGOYBFHTXDNIYLE-IWSPIJDZSA-N
MW155.24 g/mol
LogP1.67
Rot. Bonds2

About N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-methylmethanamine

N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-methylmethanamine (PubChem CID 99908285) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-methylmethanamine.

Molecular Properties

Compound NameN-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-methylmethanamine
PubChem CID99908285
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-methylmethanamine
SMILESCN(C)O[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C9H17NO/c1-10(2)11-9-6-7-3-4-8(9)5-7/h7-9H,3-6H2,1-2H3/t7-,8-,9-/m1/s1
InChIKeyGOYBFHTXDNIYLE-IWSPIJDZSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyloxy)-N-methylmethanamine
CID 76852044
2-(2-bicyclo[2.2.1]heptanyloxy)bicyclo[2.2.1]heptane
CID 22404545
2-(2-methoxyethoxy)bicyclo[2.2.1]heptane
CID 12652893
CID 154594551
CID 154594551
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl] formate
CID 98108160
1-(2-bicyclo[2.2.1]heptanyloxy)propan-2-ol
CID 73302120
2-but-3-en-2-yloxybicyclo[2.2.1]heptane
CID 70152975
(1S,2S,4R)-2-prop-2-enoxybicyclo[2.2.1]heptane
CID 102261355
2-[amino(2-bicyclo[2.2.1]heptanyloxy)phosphinothioyl]oxybicyclo[2.2.1]heptane
CID 91238700
2-bicyclo[2.2.1]heptanyloxymethanedithioic acid
CID 511673
2-bicyclo[2.2.1]heptanyl nitrate
CID 12594107
6-methoxybicyclo[3.2.1]octane
CID 13070234

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-methylmethanamine?
The IUPAC name of N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-methylmethanamine (CID 99908285) is N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-methylmethanamine.
What is the SMILES notation for N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-methylmethanamine?
The canonical SMILES for N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-methylmethanamine is CN(C)O[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-methylmethanamine?
The InChIKey is GOYBFHTXDNIYLE-IWSPIJDZSA-N. The full InChI is InChI=1S/C9H17NO/c1-10(2)11-9-6-7-3-4-8(9)5-7/h7-9H,3-6H2,1-2H3/t7-,8-,9-/m1/s1.
What are the key properties of N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-methylmethanamine?
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-methylmethanamine has a molecular weight of 155.24 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-methylmethanamine is sourced from PubChem (CID 99908285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).