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

C12H23NO — CID 60884968

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol
SMILESCC(O)CNC(C)C1CC2CCC1C2
InChIInChI=1S/C12H23NO/c1-8(14)7-13-9(2)12-6-10-3-4-11(12)5-10/h8-14H,3-7H2,1-2H3
InChIKeyQWMFBQBFSGTZNG-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.78
Rot. Bonds4

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

1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol (PubChem CID 60884968) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol
PubChem CID60884968
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol
SMILESCC(O)CNC(C)C1CC2CCC1C2
InChIInChI=1S/C12H23NO/c1-8(14)7-13-9(2)12-6-10-3-4-11(12)5-10/h8-14H,3-7H2,1-2H3
InChIKeyQWMFBQBFSGTZNG-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol with MolForge

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Related Compounds

N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylpropan-1-amine
CID 124526543
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-(diethylamino)propan-2-ol
CID 60710698
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60635607
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol
CID 60635528
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714622
methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-bromopropanoate
CID 103233673
2-acetamido-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propanoic acid
CID 64583859
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 43807622
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]acetamide
CID 103604103
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675
(1R)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 130127391
(2S)-1-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(4-methylphenoxy)propan-2-ol
CID 100798877

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol (CID 60884968) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol is CC(O)CNC(C)C1CC2CCC1C2.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol?
The InChIKey is QWMFBQBFSGTZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-8(14)7-13-9(2)12-6-10-3-4-11(12)5-10/h8-14H,3-7H2,1-2H3.
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol has a molecular weight of 197.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol is sourced from PubChem (CID 60884968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).