1-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-(dimethylamino)-2-methylpropan-2-ol

C15H28N2O — CID 106145431

IUPAC1-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCC(NCC(C)(O)CN(C)C)C1CC2C=CC1C2
InChIInChI=1S/C15H28N2O/c1-11(14-8-12-5-6-13(14)7-12)16-9-15(2,18)10-17(3)4/h5-6,11-14,16,18H,7-10H2,1-4H3
InChIKeyVRHSNRUXFHDVEV-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.49
Rot. Bonds6

About 1-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-(dimethylamino)-2-methylpropan-2-ol

1-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 106145431) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID106145431
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCC(NCC(C)(O)CN(C)C)C1CC2C=CC1C2
InChIInChI=1S/C15H28N2O/c1-11(14-8-12-5-6-13(14)7-12)16-9-15(2,18)10-17(3)4/h5-6,11-14,16,18H,7-10H2,1-4H3
InChIKeyVRHSNRUXFHDVEV-UHFFFAOYSA-N
XLogP1.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767794
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 43766789
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylprop-2-en-1-amine
CID 114615642
2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-ethyl-N-methylacetamide
CID 114132337
tert-butyl 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetate
CID 81462502
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclohexylethyl)ethanamine
CID 63450487
3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanamide
CID 43777460
1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-1-ol
CID 65107627
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(cyclohexylmethyl)ethanamine
CID 43775634
methyl 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoate
CID 43774728
3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4,4-dimethylpentan-1-ol
CID 106349050
1-(1-aminopropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106145662

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-(dimethylamino)-2-methylpropan-2-ol (CID 106145431) is 1-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-(dimethylamino)-2-methylpropan-2-ol is CC(NCC(C)(O)CN(C)C)C1CC2C=CC1C2.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is VRHSNRUXFHDVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-11(14-8-12-5-6-13(14)7-12)16-9-15(2,18)10-17(3)4/h5-6,11-14,16,18H,7-10H2,1-4H3.
What are the key properties of 1-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
1-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 252.40 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 106145431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).