1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol

C12H23NO — CID 79550552

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)CC1CC2CCC1C2
InChIInChI=1S/C12H23NO/c1-2-13-8-12(14)7-11-6-9-3-4-10(11)5-9/h9-14H,2-8H2,1H3
InChIKeyVJROHXQFZKUYNE-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.78
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol

1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol (PubChem CID 79550552) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol
PubChem CID79550552
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)CC1CC2CCC1C2
InChIInChI=1S/C12H23NO/c1-2-13-8-12(14)7-11-6-9-3-4-10(11)5-9/h9-14H,2-8H2,1H3
InChIKeyVJROHXQFZKUYNE-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol with MolForge

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Related Compounds

1-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)propan-2-ol
CID 63682237
1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol
CID 79550906
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol
CID 79558057
1-(2-bicyclo[2.2.1]heptanyl)hex-4-yn-2-ol
CID 115779959
1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentylsulfanylpropan-2-ol
CID 79558650
N-(2-bicyclo[2.2.1]heptanylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine
CID 63681849
2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-2-hydroxybutyl]acetamide
CID 126836505
1-(2-bicyclo[2.2.1]heptanyl)-5-chloropentan-2-ol
CID 79558762
1-(2-bicyclo[2.2.1]heptanylmethylamino)pentan-3-ol
CID 104694066
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol
CID 79557935
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine
CID 104988995
3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79563243

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol (CID 79550552) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol is CCNCC(O)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol?
The InChIKey is VJROHXQFZKUYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-13-8-12(14)7-11-6-9-3-4-10(11)5-9/h9-14H,2-8H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol?
1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol has a molecular weight of 197.32 g/mol, XLogP of 1.78, 5 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]heptanyl)-3-(ethylamino)propan-2-ol is sourced from PubChem (CID 79550552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).