1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]amino]-2-methylpropan-2-ol

C11H19NO — CID 130978007

IUPAC1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNC1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C11H19NO/c1-11(2,13)7-12-10-6-8-3-4-9(10)5-8/h3-4,8-10,12-13H,5-7H2,1-2H3/t8-,9+,10?/m1/s1
InChIKeyBCIJNCBPBDUBAI-ZDGBYWQASA-N
MW181.28 g/mol
LogP1.31
Rot. Bonds3

About 1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]amino]-2-methylpropan-2-ol

1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]amino]-2-methylpropan-2-ol (PubChem CID 130978007) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]amino]-2-methylpropan-2-ol
PubChem CID130978007
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNC1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C11H19NO/c1-11(2,13)7-12-10-6-8-3-4-9(10)5-8/h3-4,8-10,12-13H,5-7H2,1-2H3/t8-,9+,10?/m1/s1
InChIKeyBCIJNCBPBDUBAI-ZDGBYWQASA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]amino]-2-methylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,4R)-N-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-5-en-2-amine
CID 130643782
1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol
CID 65102612
N-(2-hydroxy-2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 65110649
1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol
CID 58388555
1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-(4-hydroxy-2-methylbutan-2-yl)thiourea
CID 11889411
1-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-3-(2-methylbut-3-yn-2-yl)thiourea
CID 98080335
N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2,2-pentafluoroethanesulfonamide
CID 87415341
1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2,4-dimethylpentan-2-ol
CID 66178881
1-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]carbamothioylamino]thiourea
CID 99719772
1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(2-bicyclo[2.2.1]hept-5-enylcarbamothioylamino)thiourea
CID 2803212
3-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1,1-dipropylthiourea
CID 11859387
ethyl 4-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxy-3-methylbutanoate
CID 21348826

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]amino]-2-methylpropan-2-ol (CID 130978007) is 1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]amino]-2-methylpropan-2-ol is CC(C)(O)CNC1C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of 1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]amino]-2-methylpropan-2-ol?
The InChIKey is BCIJNCBPBDUBAI-ZDGBYWQASA-N. The full InChI is InChI=1S/C11H19NO/c1-11(2,13)7-12-10-6-8-3-4-9(10)5-8/h3-4,8-10,12-13H,5-7H2,1-2H3/t8-,9+,10?/m1/s1.
What are the key properties of 1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]amino]-2-methylpropan-2-ol?
1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]amino]-2-methylpropan-2-ol has a molecular weight of 181.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 130978007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).