(6S)-6-[1-(oxolan-3-yl)butan-2-ylamino]-5,6,7,8-tetrahydronaphthalen-1-ol

C18H27NO2 — CID 70189932

IUPAC(6S)-6-[1-(oxolan-3-yl)butan-2-ylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCC(CC1CCOC1)N[C@H]1CCc2c(O)cccc2C1
InChIInChI=1S/C18H27NO2/c1-2-15(10-13-8-9-21-12-13)19-16-6-7-17-14(11-16)4-3-5-18(17)20/h3-5,13,15-16,19-20H,2,6-12H2,1H3/t13?,15?,16-/m0/s1
InChIKeyXVELVVRZNLAYQR-BCLQGDPASA-N
MW289.42 g/mol
LogP3.04
Rot. Bonds5

About (6S)-6-[1-(oxolan-3-yl)butan-2-ylamino]-5,6,7,8-tetrahydronaphthalen-1-ol

(6S)-6-[1-(oxolan-3-yl)butan-2-ylamino]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 70189932) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (6S)-6-[1-(oxolan-3-yl)butan-2-ylamino]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(6S)-6-[1-(oxolan-3-yl)butan-2-ylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID70189932
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(6S)-6-[1-(oxolan-3-yl)butan-2-ylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCC(CC1CCOC1)N[C@H]1CCc2c(O)cccc2C1
InChIInChI=1S/C18H27NO2/c1-2-15(10-13-8-9-21-12-13)19-16-6-7-17-14(11-16)4-3-5-18(17)20/h3-5,13,15-16,19-20H,2,6-12H2,1H3/t13?,15?,16-/m0/s1
InChIKeyXVELVVRZNLAYQR-BCLQGDPASA-N
XLogP3.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (6S)-6-[1-(oxolan-3-yl)butan-2-ylamino]-5,6,7,8-tetrahydronaphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1,1-diphenylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 19926577
(2S)-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butan-1-ol
CID 93026650
[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 68553255
(2S)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)butan-1-ol;hydrochloride
CID 91662998
6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 23635117
1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 43636908
N-[2-(oxolan-3-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 113424537
1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362150
3-(heptan-3-ylamino)-3,4-dihydro-2H-chromen-5-ol
CID 70404616
N-ethyl-1-(oxolan-3-yl)-3-phenylpropan-2-amine
CID 103987146
(6S)-6-[butan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 138664604
2,2,2-trifluoro-N-[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
CID 11448303

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[1-(oxolan-3-yl)butan-2-ylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of (6S)-6-[1-(oxolan-3-yl)butan-2-ylamino]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 70189932) is (6S)-6-[1-(oxolan-3-yl)butan-2-ylamino]-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (6S)-6-[1-(oxolan-3-yl)butan-2-ylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for (6S)-6-[1-(oxolan-3-yl)butan-2-ylamino]-5,6,7,8-tetrahydronaphthalen-1-ol is CCC(CC1CCOC1)N[C@H]1CCc2c(O)cccc2C1.
What is the InChIKey of (6S)-6-[1-(oxolan-3-yl)butan-2-ylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is XVELVVRZNLAYQR-BCLQGDPASA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-15(10-13-8-9-21-12-13)19-16-6-7-17-14(11-16)4-3-5-18(17)20/h3-5,13,15-16,19-20H,2,6-12H2,1H3/t13?,15?,16-/m0/s1.
What are the key properties of (6S)-6-[1-(oxolan-3-yl)butan-2-ylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
(6S)-6-[1-(oxolan-3-yl)butan-2-ylamino]-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 289.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[1-(oxolan-3-yl)butan-2-ylamino]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 70189932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).