(1-cyclohexyl-3-hydroxypropan-2-yl)azanium

C9H20NO+ — CID 4068949

IUPAC(1-cyclohexyl-3-hydroxypropan-2-yl)azanium
SMILES[NH3+]C(CO)CC1CCCCC1
InChIInChI=1S/C9H19NO/c10-9(7-11)6-8-4-2-1-3-5-8/h8-9,11H,1-7,10H2/p+1
InChIKeyQWDRYURVUDZKSG-UHFFFAOYSA-O
MW158.27 g/mol
LogP0.56
Rot. Bonds3

About (1-cyclohexyl-3-hydroxypropan-2-yl)azanium

(1-cyclohexyl-3-hydroxypropan-2-yl)azanium (PubChem CID 4068949) has the molecular formula C9H20NO+ and a molecular weight of 158.27 g/mol. Its IUPAC name is (1-cyclohexyl-3-hydroxypropan-2-yl)azanium.

Molecular Properties

Compound Name(1-cyclohexyl-3-hydroxypropan-2-yl)azanium
PubChem CID4068949
Molecular FormulaC9H20NO+
Molecular Weight158.27 g/mol
Exact Mass158.15
IUPAC Name(1-cyclohexyl-3-hydroxypropan-2-yl)azanium
SMILES[NH3+]C(CO)CC1CCCCC1
InChIInChI=1S/C9H19NO/c10-9(7-11)6-8-4-2-1-3-5-8/h8-9,11H,1-7,10H2/p+1
InChIKeyQWDRYURVUDZKSG-UHFFFAOYSA-O
XLogP0.56
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

(2R)-2-bromo-3-cyclohexylpropan-1-ol
CID 135056962
(2R)-3-cyclopentyl-2-fluoropropan-1-ol
CID 129375583
(2R)-2-(cyclopentylmethyl)but-3-en-1-ol
CID 143882420
(3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol
CID 57086179
cyclotetradecylmethanol
CID 23468347
(1R)-1-cyclohexylethane-1,2-diol
CID 11789331
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
1,2-dicyclohexylethylcyclohexane
CID 158413043
(4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol
CID 54442310
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
3-cyclohexyl-2-methylpropane-1,1-diol
CID 20647941
(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
CID 10636664

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-3-hydroxypropan-2-yl)azanium?
The IUPAC name of (1-cyclohexyl-3-hydroxypropan-2-yl)azanium (CID 4068949) is (1-cyclohexyl-3-hydroxypropan-2-yl)azanium.
What is the SMILES notation for (1-cyclohexyl-3-hydroxypropan-2-yl)azanium?
The canonical SMILES for (1-cyclohexyl-3-hydroxypropan-2-yl)azanium is [NH3+]C(CO)CC1CCCCC1.
What is the InChIKey of (1-cyclohexyl-3-hydroxypropan-2-yl)azanium?
The InChIKey is QWDRYURVUDZKSG-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H19NO/c10-9(7-11)6-8-4-2-1-3-5-8/h8-9,11H,1-7,10H2/p+1.
What are the key properties of (1-cyclohexyl-3-hydroxypropan-2-yl)azanium?
(1-cyclohexyl-3-hydroxypropan-2-yl)azanium has a molecular weight of 158.27 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-3-hydroxypropan-2-yl)azanium is sourced from PubChem (CID 4068949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).