5-[2-methylpropyl(pentan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol

C19H31NO — CID 82965932

IUPAC5-[2-methylpropyl(pentan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCC(CC)N(CC(C)C)C1CCCc2cc(O)ccc21
InChIInChI=1S/C19H31NO/c1-5-16(6-2)20(13-14(3)4)19-9-7-8-15-12-17(21)10-11-18(15)19/h10-12,14,16,19,21H,5-9,13H2,1-4H3
InChIKeyGNYFXXJWRVBJKO-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.92
Rot. Bonds6

About 5-[2-methylpropyl(pentan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol

5-[2-methylpropyl(pentan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 82965932) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 5-[2-methylpropyl(pentan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-[2-methylpropyl(pentan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID82965932
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name5-[2-methylpropyl(pentan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCC(CC)N(CC(C)C)C1CCCc2cc(O)ccc21
InChIInChI=1S/C19H31NO/c1-5-16(6-2)20(13-14(3)4)19-9-7-8-15-12-17(21)10-11-18(15)19/h10-12,14,16,19,21H,5-9,13H2,1-4H3
InChIKeyGNYFXXJWRVBJKO-UHFFFAOYSA-N
XLogP4.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methylpropyl(pentan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-[2-methylpropyl(pentan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 82965932) is 5-[2-methylpropyl(pentan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-[2-methylpropyl(pentan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-[2-methylpropyl(pentan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol is CCC(CC)N(CC(C)C)C1CCCc2cc(O)ccc21.
What is the InChIKey of 5-[2-methylpropyl(pentan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is GNYFXXJWRVBJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-16(6-2)20(13-14(3)4)19-9-7-8-15-12-17(21)10-11-18(15)19/h10-12,14,16,19,21H,5-9,13H2,1-4H3.
What are the key properties of 5-[2-methylpropyl(pentan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
5-[2-methylpropyl(pentan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 289.46 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methylpropyl(pentan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 82965932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).