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

C12H21NO — CID 43771189

IUPAC2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-1-ol
SMILESCC(C)(CO)NCC1CC2C=CC1C2
InChIInChI=1S/C12H21NO/c1-12(2,8-14)13-7-11-6-9-3-4-10(11)5-9/h3-4,9-11,13-14H,5-8H2,1-2H3
InChIKeyAHDSKFDEYYZXEE-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.56
Rot. Bonds4

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

2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-1-ol (PubChem CID 43771189) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-1-ol
PubChem CID43771189
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-1-ol
SMILESCC(C)(CO)NCC1CC2C=CC1C2
InChIInChI=1S/C12H21NO/c1-12(2,8-14)13-7-11-6-9-3-4-10(11)5-9/h3-4,9-11,13-14H,5-8H2,1-2H3
InChIKeyAHDSKFDEYYZXEE-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-1-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-1-ol (CID 43771189) is 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-1-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-1-ol is CC(C)(CO)NCC1CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-1-ol?
The InChIKey is AHDSKFDEYYZXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(2,8-14)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 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-1-ol?
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-1-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 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 43771189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).