[4-(2-hydroxypropan-2-yl)cyclohexyl]azanium

C9H20NO+ — CID 86324892

IUPAC[4-(2-hydroxypropan-2-yl)cyclohexyl]azanium
SMILESCC(C)(O)C1CCC([NH3+])CC1
InChIInChI=1S/C9H19NO/c1-9(2,11)7-3-5-8(10)6-4-7/h7-8,11H,3-6,10H2,1-2H3/p+1
InChIKeyIUGMKNUWVITXNR-UHFFFAOYSA-O
MW158.27 g/mol
LogP0.56
Rot. Bonds1

About [4-(2-hydroxypropan-2-yl)cyclohexyl]azanium

[4-(2-hydroxypropan-2-yl)cyclohexyl]azanium (PubChem CID 86324892) has the molecular formula C9H20NO+ and a molecular weight of 158.27 g/mol. Its IUPAC name is [4-(2-hydroxypropan-2-yl)cyclohexyl]azanium.

Molecular Properties

Compound Name[4-(2-hydroxypropan-2-yl)cyclohexyl]azanium
PubChem CID86324892
Molecular FormulaC9H20NO+
Molecular Weight158.27 g/mol
Exact Mass158.15
IUPAC Name[4-(2-hydroxypropan-2-yl)cyclohexyl]azanium
SMILESCC(C)(O)C1CCC([NH3+])CC1
InChIInChI=1S/C9H19NO/c1-9(2,11)7-3-5-8(10)6-4-7/h7-8,11H,3-6,10H2,1-2H3/p+1
InChIKeyIUGMKNUWVITXNR-UHFFFAOYSA-O
XLogP0.56
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxypropan-2-yl)cyclohexyl]azanium?
The IUPAC name of [4-(2-hydroxypropan-2-yl)cyclohexyl]azanium (CID 86324892) is [4-(2-hydroxypropan-2-yl)cyclohexyl]azanium.
What is the SMILES notation for [4-(2-hydroxypropan-2-yl)cyclohexyl]azanium?
The canonical SMILES for [4-(2-hydroxypropan-2-yl)cyclohexyl]azanium is CC(C)(O)C1CCC([NH3+])CC1.
What is the InChIKey of [4-(2-hydroxypropan-2-yl)cyclohexyl]azanium?
The InChIKey is IUGMKNUWVITXNR-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H19NO/c1-9(2,11)7-3-5-8(10)6-4-7/h7-8,11H,3-6,10H2,1-2H3/p+1.
What are the key properties of [4-(2-hydroxypropan-2-yl)cyclohexyl]azanium?
[4-(2-hydroxypropan-2-yl)cyclohexyl]azanium has a molecular weight of 158.27 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxypropan-2-yl)cyclohexyl]azanium is sourced from PubChem (CID 86324892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).