butan-2-yl-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium chloride

C16H26ClNO — CID 15176

IUPACbutan-2-yl-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium chloride
SMILESCCC(C)[NH2+]CC(O)c1ccc2c(c1)CCCC2.[Cl-]
InChIInChI=1S/C16H25NO.ClH/c1-3-12(2)17-11-16(18)15-9-8-13-6-4-5-7-14(13)10-15;/h8-10,12,16-18H,3-7,11H2,1-2H3;1H
InChIKeyKHBXORBAOCQNMC-UHFFFAOYSA-N
MW283.84 g/mol
LogP-1.04
Rot. Bonds5

About butan-2-yl-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium chloride

butan-2-yl-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium chloride (PubChem CID 15176) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is butan-2-yl-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium chloride.

Molecular Properties

Compound Namebutan-2-yl-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium chloride
PubChem CID15176
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Namebutan-2-yl-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium chloride
SMILESCCC(C)[NH2+]CC(O)c1ccc2c(c1)CCCC2.[Cl-]
InChIInChI=1S/C16H25NO.ClH/c1-3-12(2)17-11-16(18)15-9-8-13-6-4-5-7-14(13)10-15;/h8-10,12,16-18H,3-7,11H2,1-2H3;1H
InChIKeyKHBXORBAOCQNMC-UHFFFAOYSA-N
XLogP-1.04
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium chloride?
The IUPAC name of butan-2-yl-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium chloride (CID 15176) is butan-2-yl-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium chloride.
What is the SMILES notation for butan-2-yl-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium chloride?
The canonical SMILES for butan-2-yl-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium chloride is CCC(C)[NH2+]CC(O)c1ccc2c(c1)CCCC2.[Cl-].
What is the InChIKey of butan-2-yl-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium chloride?
The InChIKey is KHBXORBAOCQNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.ClH/c1-3-12(2)17-11-16(18)15-9-8-13-6-4-5-7-14(13)10-15;/h8-10,12,16-18H,3-7,11H2,1-2H3;1H.
What are the key properties of butan-2-yl-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium chloride?
butan-2-yl-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium chloride has a molecular weight of 283.84 g/mol, XLogP of -1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium chloride is sourced from PubChem (CID 15176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).