7-[1,1,2,2,3,3,3-heptadeuteriopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol

C16H25NO — CID 71748988

IUPAC7-[1,1,2,2,3,3,3-heptadeuteriopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILES[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N(CCC)C1CCc2cccc(O)c2C1
InChIInChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/i1D3,3D2,10D2
InChIKeyASXGJMSKWNBENU-ZTGIJGHNSA-N
MW254.42 g/mol
LogP3.37
Rot. Bonds6

About 7-[1,1,2,2,3,3,3-heptadeuteriopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol

7-[1,1,2,2,3,3,3-heptadeuteriopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 71748988) has the molecular formula C16H25NO and a molecular weight of 254.42 g/mol. Its IUPAC name is 7-[1,1,2,2,3,3,3-heptadeuteriopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name7-[1,1,2,2,3,3,3-heptadeuteriopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID71748988
Molecular FormulaC16H25NO
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name7-[1,1,2,2,3,3,3-heptadeuteriopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILES[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N(CCC)C1CCc2cccc(O)c2C1
InChIInChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/i1D3,3D2,10D2
InChIKeyASXGJMSKWNBENU-ZTGIJGHNSA-N
XLogP3.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[1,1,2,2,3,3,3-heptadeuteriopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 7-[1,1,2,2,3,3,3-heptadeuteriopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 71748988) is 7-[1,1,2,2,3,3,3-heptadeuteriopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 7-[1,1,2,2,3,3,3-heptadeuteriopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 7-[1,1,2,2,3,3,3-heptadeuteriopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol is [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N(CCC)C1CCc2cccc(O)c2C1.
What is the InChIKey of 7-[1,1,2,2,3,3,3-heptadeuteriopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is ASXGJMSKWNBENU-ZTGIJGHNSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/i1D3,3D2,10D2.
What are the key properties of 7-[1,1,2,2,3,3,3-heptadeuteriopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
7-[1,1,2,2,3,3,3-heptadeuteriopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 254.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1,1,2,2,3,3,3-heptadeuteriopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 71748988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).