(2-hydroxycyclohexyl)azanium

C6H14NO+ — CID 21418736

IUPAC(2-hydroxycyclohexyl)azanium
SMILES[NH3+]C1CCCCC1O
InChIInChI=1S/C6H13NO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4,7H2/p+1
InChIKeyPQMCFTMVQORYJC-UHFFFAOYSA-O
MW116.18 g/mol
LogP-0.47
Rot. Bonds

About (2-hydroxycyclohexyl)azanium

(2-hydroxycyclohexyl)azanium (PubChem CID 21418736) has the molecular formula C6H14NO+ and a molecular weight of 116.18 g/mol. Its IUPAC name is (2-hydroxycyclohexyl)azanium.

Molecular Properties

Compound Name(2-hydroxycyclohexyl)azanium
PubChem CID21418736
Molecular FormulaC6H14NO+
Molecular Weight116.18 g/mol
Exact Mass116.11
IUPAC Name(2-hydroxycyclohexyl)azanium
SMILES[NH3+]C1CCCCC1O
InChIInChI=1S/C6H13NO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4,7H2/p+1
InChIKeyPQMCFTMVQORYJC-UHFFFAOYSA-O
XLogP-0.47
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-Aminocyclohexanol
CID 81293
2-Aminocyclohexanol
CID 23286
Cyclohexanol, 2-amino-, hydrochloride (1:1), (1R,2R)-
CID 12228412
2-Amino-3-hexanol
CID 25869
(2S)-2-Amino-1-hexanol
CID 5494388
(1s,4s)-4-Aminocyclohexan-1-ol hydrochloride
CID 522619
(1R,2r,3S)-2-aminocyclohexane-1,3-diol
CID 13375420
(1R,2R)-2-Aminocyclohexanol
CID 735777
DL-2-Amino-1-hexanol
CID 249006
(1S,2S)-2-aminocyclohexanol
CID 7057408
(1S,2R)-2-aminocyclohexan-1-ol hydrochloride
CID 17039400
(R)-2-Aminohexan-1-ol
CID 6994402

Frequently Asked Questions

What is the IUPAC name of (2-hydroxycyclohexyl)azanium?
The IUPAC name of (2-hydroxycyclohexyl)azanium (CID 21418736) is (2-hydroxycyclohexyl)azanium.
What is the SMILES notation for (2-hydroxycyclohexyl)azanium?
The canonical SMILES for (2-hydroxycyclohexyl)azanium is [NH3+]C1CCCCC1O.
What is the InChIKey of (2-hydroxycyclohexyl)azanium?
The InChIKey is PQMCFTMVQORYJC-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13NO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4,7H2/p+1.
What are the key properties of (2-hydroxycyclohexyl)azanium?
(2-hydroxycyclohexyl)azanium has a molecular weight of 116.18 g/mol, XLogP of -0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxycyclohexyl)azanium is sourced from PubChem (CID 21418736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).