6-[4-[2-[di(propan-2-yl)amino]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine

C23H33N3O — CID 22236449

IUPAC6-[4-[2-[di(propan-2-yl)amino]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine
SMILESCC(C)N(CCOc1ccc(-c2cccc(N)n2)c2c1CCCC2)C(C)C
InChIInChI=1S/C23H33N3O/c1-16(2)26(17(3)4)14-15-27-22-13-12-19(18-8-5-6-9-20(18)22)21-10-7-11-23(24)25-21/h7,10-13,16-17H,5-6,8-9,14-15H2,1-4H3,(H2,24,25)
InChIKeyIBEBYSMJCGBCGU-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.71
Rot. Bonds7

About 6-[4-[2-[di(propan-2-yl)amino]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine

6-[4-[2-[di(propan-2-yl)amino]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine (PubChem CID 22236449) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 6-[4-[2-[di(propan-2-yl)amino]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[4-[2-[di(propan-2-yl)amino]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine
PubChem CID22236449
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name6-[4-[2-[di(propan-2-yl)amino]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine
SMILESCC(C)N(CCOc1ccc(-c2cccc(N)n2)c2c1CCCC2)C(C)C
InChIInChI=1S/C23H33N3O/c1-16(2)26(17(3)4)14-15-27-22-13-12-19(18-8-5-6-9-20(18)22)21-10-7-11-23(24)25-21/h7,10-13,16-17H,5-6,8-9,14-15H2,1-4H3,(H2,24,25)
InChIKeyIBEBYSMJCGBCGU-UHFFFAOYSA-N
XLogP4.71
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[di(propan-2-yl)amino]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine?
The IUPAC name of 6-[4-[2-[di(propan-2-yl)amino]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine (CID 22236449) is 6-[4-[2-[di(propan-2-yl)amino]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine.
What is the SMILES notation for 6-[4-[2-[di(propan-2-yl)amino]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine?
The canonical SMILES for 6-[4-[2-[di(propan-2-yl)amino]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine is CC(C)N(CCOc1ccc(-c2cccc(N)n2)c2c1CCCC2)C(C)C.
What is the InChIKey of 6-[4-[2-[di(propan-2-yl)amino]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine?
The InChIKey is IBEBYSMJCGBCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-16(2)26(17(3)4)14-15-27-22-13-12-19(18-8-5-6-9-20(18)22)21-10-7-11-23(24)25-21/h7,10-13,16-17H,5-6,8-9,14-15H2,1-4H3,(H2,24,25).
What are the key properties of 6-[4-[2-[di(propan-2-yl)amino]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine?
6-[4-[2-[di(propan-2-yl)amino]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine has a molecular weight of 367.54 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[di(propan-2-yl)amino]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine is sourced from PubChem (CID 22236449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).