[(1R,2R)-2-hydroxy-2-methylcyclopentyl]azanium

C6H14NO+ — CID 171460673

IUPAC[(1R,2R)-2-hydroxy-2-methylcyclopentyl]azanium
SMILESC[C@@]1(O)CCC[C@H]1[NH3+]
InChIInChI=1S/C6H13NO/c1-6(8)4-2-3-5(6)7/h5,8H,2-4,7H2,1H3/p+1/t5-,6-/m1/s1
InChIKeyKKBCPZUWBKCECT-PHDIDXHHSA-O
MW116.18 g/mol
LogP-0.47
Rot. Bonds

About [(1R,2R)-2-hydroxy-2-methylcyclopentyl]azanium

[(1R,2R)-2-hydroxy-2-methylcyclopentyl]azanium (PubChem CID 171460673) has the molecular formula C6H14NO+ and a molecular weight of 116.18 g/mol. Its IUPAC name is [(1R,2R)-2-hydroxy-2-methylcyclopentyl]azanium.

Molecular Properties

Compound Name[(1R,2R)-2-hydroxy-2-methylcyclopentyl]azanium
PubChem CID171460673
Molecular FormulaC6H14NO+
Molecular Weight116.18 g/mol
Exact Mass116.11
IUPAC Name[(1R,2R)-2-hydroxy-2-methylcyclopentyl]azanium
SMILESC[C@@]1(O)CCC[C@H]1[NH3+]
InChIInChI=1S/C6H13NO/c1-6(8)4-2-3-5(6)7/h5,8H,2-4,7H2,1H3/p+1/t5-,6-/m1/s1
InChIKeyKKBCPZUWBKCECT-PHDIDXHHSA-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

trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
trans-(1R,2S)-2-chloro-1-methylcyclopentan-1-ol
CID 131071734
cis-(1R,2R)-1-methyl-2-propan-2-ylcyclopentan-1-ol
CID 158874958
(1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol
CID 98172819
cis-(1S,2S)-2-bromo-1-methylcyclohexan-1-ol
CID 129404972
cis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol
CID 93341086
trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol
CID 10964528
(1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
CID 67375196
1,2-dimethyl-3-propan-2-ylcyclohexan-1-ol
CID 22561619
cis-(1R,2R)-2-(ethylamino)-1-methylcyclopentan-1-ol
CID 166556336
(1S,2R,3S)-3-hydroxy-2,3-dimethylcyclohexane-1-carbonitrile
CID 11686937
trans-(1Z,1R,2R)-N,2-dihydroxy-2-methylcyclopentane-1-carboximidoyl chloride
CID 167088658

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-hydroxy-2-methylcyclopentyl]azanium?
The IUPAC name of [(1R,2R)-2-hydroxy-2-methylcyclopentyl]azanium (CID 171460673) is [(1R,2R)-2-hydroxy-2-methylcyclopentyl]azanium.
What is the SMILES notation for [(1R,2R)-2-hydroxy-2-methylcyclopentyl]azanium?
The canonical SMILES for [(1R,2R)-2-hydroxy-2-methylcyclopentyl]azanium is C[C@@]1(O)CCC[C@H]1[NH3+].
What is the InChIKey of [(1R,2R)-2-hydroxy-2-methylcyclopentyl]azanium?
The InChIKey is KKBCPZUWBKCECT-PHDIDXHHSA-O. The full InChI is InChI=1S/C6H13NO/c1-6(8)4-2-3-5(6)7/h5,8H,2-4,7H2,1H3/p+1/t5-,6-/m1/s1.
What are the key properties of [(1R,2R)-2-hydroxy-2-methylcyclopentyl]azanium?
[(1R,2R)-2-hydroxy-2-methylcyclopentyl]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 [(1R,2R)-2-hydroxy-2-methylcyclopentyl]azanium is sourced from PubChem (CID 171460673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).