[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium

C8H18N+ — CID 11862774

IUPAC[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium
SMILESC[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+]
InChIInChI=1S/C8H17N/c1-6-4-3-5-8(9)7(6)2/h6-8H,3-5,9H2,1-2H3/p+1/t6-,7+,8-/m0/s1
InChIKeyLKWOOKWVBNSLGN-RNJXMRFFSA-O
MW128.24 g/mol
LogP1.05
Rot. Bonds

About [(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium

[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium (PubChem CID 11862774) has the molecular formula C8H18N+ and a molecular weight of 128.24 g/mol. Its IUPAC name is [(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium.

Molecular Properties

Compound Name[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium
PubChem CID11862774
Molecular FormulaC8H18N+
Molecular Weight128.24 g/mol
Exact Mass128.14
IUPAC Name[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium
SMILESC[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+]
InChIInChI=1S/C8H17N/c1-6-4-3-5-8(9)7(6)2/h6-8H,3-5,9H2,1-2H3/p+1/t6-,7+,8-/m0/s1
InChIKeyLKWOOKWVBNSLGN-RNJXMRFFSA-O
XLogP1.05
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-Cyclohexylethan-1-amine hydrochloride
CID 214023
1-Cyclohexylethylamine
CID 110733
1-Cyclohexylpropan-2-amine
CID 115665
2-(Isopropyl)-5-methylcyclohexylamine
CID 89497
(S)-(+)-1-Cyclohexylethylamine
CID 5325951
(-)-1-Cyclohexylethylamine
CID 10997046
2,3-Dimethylcyclohexylamine
CID 123507
(-)-Menthylamine
CID 222068
4-(2-Methylpentyl)cyclohexanamine
CID 99093
3,5-Dimethylcyclohexan-1-amine
CID 14675374
4-Butylcyclohexylamine
CID 425326
(2R)-1-cyclohexylpropan-2-amine
CID 12878584

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium?
The IUPAC name of [(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium (CID 11862774) is [(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium.
What is the SMILES notation for [(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium?
The canonical SMILES for [(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium is C[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+].
What is the InChIKey of [(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium?
The InChIKey is LKWOOKWVBNSLGN-RNJXMRFFSA-O. The full InChI is InChI=1S/C8H17N/c1-6-4-3-5-8(9)7(6)2/h6-8H,3-5,9H2,1-2H3/p+1/t6-,7+,8-/m0/s1.
What are the key properties of [(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium?
[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium has a molecular weight of 128.24 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium is sourced from PubChem (CID 11862774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).