2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol

C10H17NO — CID 98042869

IUPAC2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol
SMILESOCCNC[C@@H]1C[C@@H]2C=C[C@@H]1C2
InChIInChI=1S/C10H17NO/c12-4-3-11-7-10-6-8-1-2-9(10)5-8/h1-2,8-12H,3-7H2/t8-,9-,10+/m1/s1
InChIKeyVVQJETZGBWTNJT-BBBLOLIVSA-N
MW167.25 g/mol
LogP0.78
Rot. Bonds4

About 2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol

2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol (PubChem CID 98042869) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol
PubChem CID98042869
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol
SMILESOCCNC[C@@H]1C[C@@H]2C=C[C@@H]1C2
InChIInChI=1S/C10H17NO/c12-4-3-11-7-10-6-8-1-2-9(10)5-8/h1-2,8-12H,3-7H2/t8-,9-,10+/m1/s1
InChIKeyVVQJETZGBWTNJT-BBBLOLIVSA-N
XLogP0.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol
CID 7236700
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanol
CID 3154449
2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethoxy]ethanol
CID 124526562
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propanoic acid
CID 43774822
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butan-1-amine
CID 98118034
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,3-dimethylbutan-1-amine
CID 115685496
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)hydroxylamine
CID 13440364
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propane-1,2-diol
CID 66176724
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethoxyethanamine
CID 43778399
1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol
CID 65102612
N-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]methanesulfonamide
CID 3598178
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-ethoxypropan-1-amine
CID 98118056

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol?
The IUPAC name of 2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol (CID 98042869) is 2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol.
What is the SMILES notation for 2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol?
The canonical SMILES for 2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol is OCCNC[C@@H]1C[C@@H]2C=C[C@@H]1C2.
What is the InChIKey of 2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol?
The InChIKey is VVQJETZGBWTNJT-BBBLOLIVSA-N. The full InChI is InChI=1S/C10H17NO/c12-4-3-11-7-10-6-8-1-2-9(10)5-8/h1-2,8-12H,3-7H2/t8-,9-,10+/m1/s1.
What are the key properties of 2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol?
2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol has a molecular weight of 167.25 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol is sourced from PubChem (CID 98042869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).