1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol

C12H21NO — CID 65102612

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNCC1CC2C=CC1C2
InChIInChI=1S/C12H21NO/c1-12(2,14)8-13-7-11-6-9-3-4-10(11)5-9/h3-4,9-11,13-14H,5-8H2,1-2H3
InChIKeyMXTZZZLCOQIUPO-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.56
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol

1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol (PubChem CID 65102612) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol
PubChem CID65102612
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNCC1CC2C=CC1C2
InChIInChI=1S/C12H21NO/c1-12(2,14)8-13-7-11-6-9-3-4-10(11)5-9/h3-4,9-11,13-14H,5-8H2,1-2H3
InChIKeyMXTZZZLCOQIUPO-UHFFFAOYSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2,4-dimethylpentan-2-ol
CID 66178881
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-N,2,2-trimethylpropanamide
CID 103824427
1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol
CID 58388555
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)-2,2-dimethyl-4-methylsulfonylbutan-1-amine
CID 75378004
2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol
CID 98042869
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-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-1-ol
CID 43771189
1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]amino]-2-methylpropan-2-ol
CID 130978007
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)hydroxylamine
CID 13440364
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butan-1-amine
CID 98118034

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol (CID 65102612) is 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol is CC(C)(O)CNCC1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol?
The InChIKey is MXTZZZLCOQIUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(2,14)8-13-7-11-6-9-3-4-10(11)5-9/h3-4,9-11,13-14H,5-8H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol?
1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol has a molecular weight of 195.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 65102612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).