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

C16H32N2O — CID 60710698

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNC(C)C1CC2CCC1C2
InChIInChI=1S/C16H32N2O/c1-4-18(5-2)11-15(19)10-17-12(3)16-9-13-6-7-14(16)8-13/h12-17,19H,4-11H2,1-3H3
InChIKeyXVOYTPDOIOLWPC-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.10
Rot. Bonds8

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

1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-(diethylamino)propan-2-ol (PubChem CID 60710698) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-(diethylamino)propan-2-ol
PubChem CID60710698
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNC(C)C1CC2CCC1C2
InChIInChI=1S/C16H32N2O/c1-4-18(5-2)11-15(19)10-17-12(3)16-9-13-6-7-14(16)8-13/h12-17,19H,4-11H2,1-3H3
InChIKeyXVOYTPDOIOLWPC-UHFFFAOYSA-N
XLogP2.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol
CID 60884968
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-[(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
(2S)-1-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(4-methylphenoxy)propan-2-ol
CID 100798877
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 4851511
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]ethanesulfonamide
CID 4078136
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 43807622
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
4-[(2S)-3-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-hydroxypropoxy]benzonitrile
CID 124720750
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine
CID 60668799

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-(diethylamino)propan-2-ol?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-(diethylamino)propan-2-ol (CID 60710698) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-(diethylamino)propan-2-ol.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-(diethylamino)propan-2-ol?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-(diethylamino)propan-2-ol is CCN(CC)CC(O)CNC(C)C1CC2CCC1C2.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-(diethylamino)propan-2-ol?
The InChIKey is XVOYTPDOIOLWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-18(5-2)11-15(19)10-17-12(3)16-9-13-6-7-14(16)8-13/h12-17,19H,4-11H2,1-3H3.
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-(diethylamino)propan-2-ol?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-(diethylamino)propan-2-ol has a molecular weight of 268.44 g/mol, XLogP of 2.10, 8 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]heptanyl)ethylamino]-3-(diethylamino)propan-2-ol is sourced from PubChem (CID 60710698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).