(6S)-6-[butan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol

C17H27NO — CID 138664604

IUPAC(6S)-6-[butan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(C(C)CC)[C@H]1CCc2c(O)cccc2C1
InChIInChI=1S/C17H27NO/c1-4-11-18(13(3)5-2)15-9-10-16-14(12-15)7-6-8-17(16)19/h6-8,13,15,19H,4-5,9-12H2,1-3H3/t13?,15-/m0/s1
InChIKeyYIKOKEPYIWOOFV-WUJWULDRSA-N
MW261.41 g/mol
LogP3.76
Rot. Bonds5

About (6S)-6-[butan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol

(6S)-6-[butan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 138664604) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (6S)-6-[butan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(6S)-6-[butan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID138664604
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(6S)-6-[butan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(C(C)CC)[C@H]1CCc2c(O)cccc2C1
InChIInChI=1S/C17H27NO/c1-4-11-18(13(3)5-2)15-9-10-16-14(12-15)7-6-8-17(16)19/h6-8,13,15,19H,4-5,9-12H2,1-3H3/t13?,15-/m0/s1
InChIKeyYIKOKEPYIWOOFV-WUJWULDRSA-N
XLogP3.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-[butan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of (6S)-6-[butan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 138664604) is (6S)-6-[butan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (6S)-6-[butan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for (6S)-6-[butan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol is CCCN(C(C)CC)[C@H]1CCc2c(O)cccc2C1.
What is the InChIKey of (6S)-6-[butan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is YIKOKEPYIWOOFV-WUJWULDRSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-11-18(13(3)5-2)15-9-10-16-14(12-15)7-6-8-17(16)19/h6-8,13,15,19H,4-5,9-12H2,1-3H3/t13?,15-/m0/s1.
What are the key properties of (6S)-6-[butan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
(6S)-6-[butan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[butan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 138664604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).