3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4,4-dimethylpentan-1-ol

C16H29NO — CID 106349050

IUPAC3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4,4-dimethylpentan-1-ol
SMILESCC(NC(CCO)C(C)(C)C)C1CC2C=CC1C2
InChIInChI=1S/C16H29NO/c1-11(14-10-12-5-6-13(14)9-12)17-15(7-8-18)16(2,3)4/h5-6,11-15,17-18H,7-10H2,1-4H3
InChIKeyLWMBTZIEMNERLB-UHFFFAOYSA-N
MW251.41 g/mol
LogP2.97
Rot. Bonds5

About 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4,4-dimethylpentan-1-ol

3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4,4-dimethylpentan-1-ol (PubChem CID 106349050) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4,4-dimethylpentan-1-ol
PubChem CID106349050
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4,4-dimethylpentan-1-ol
SMILESCC(NC(CCO)C(C)(C)C)C1CC2C=CC1C2
InChIInChI=1S/C16H29NO/c1-11(14-10-12-5-6-13(14)9-12)17-15(7-8-18)16(2,3)4/h5-6,11-15,17-18H,7-10H2,1-4H3
InChIKeyLWMBTZIEMNERLB-UHFFFAOYSA-N
XLogP2.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 52.97
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

2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoic acid
CID 61499787
3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol
CID 113438636
(2R)-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-phenylpropan-1-ol
CID 107860728
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-ethoxy-3-methylbutan-2-amine
CID 114114880
4-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43761165
1-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767794
1-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106145431
tert-butyl 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetate
CID 81462502
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylprop-2-en-1-amine
CID 114615642
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(cyclohexylmethyl)ethanamine
CID 43775634
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(4-propan-2-ylphenyl)ethyl]ethanamine
CID 43784498
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
CID 62995231

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4,4-dimethylpentan-1-ol (CID 106349050) is 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4,4-dimethylpentan-1-ol is CC(NC(CCO)C(C)(C)C)C1CC2C=CC1C2.
What is the InChIKey of 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is LWMBTZIEMNERLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-11(14-10-12-5-6-13(14)9-12)17-15(7-8-18)16(2,3)4/h5-6,11-15,17-18H,7-10H2,1-4H3.
What are the key properties of 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4,4-dimethylpentan-1-ol?
3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 251.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106349050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).