cis-(1S,5S)-1,3,3,5-tetramethylcyclohexan-1-amine;methanesulfonic acid

C11H25NO3S — CID 87135490

IUPACcis-(1S,5S)-1,3,3,5-tetramethylcyclohexan-1-amine;methanesulfonic acid
SMILESCS(=O)(=O)O.C[C@H]1CC(C)(C)C[C@@](C)(N)C1
InChIInChI=1S/C10H21N.CH4O3S/c1-8-5-9(2,3)7-10(4,11)6-8;1-5(2,3)4/h8H,5-7,11H2,1-4H3;1H3,(H,2,3,4)/t8-,10-;/m0./s1
InChIKeyXZLFARHQFCGBJS-GNAZCLTHSA-N
MW251.39 g/mol
LogP2.05
Rot. Bonds

About cis-(1S,5S)-1,3,3,5-tetramethylcyclohexan-1-amine;methanesulfonic acid

cis-(1S,5S)-1,3,3,5-tetramethylcyclohexan-1-amine;methanesulfonic acid (PubChem CID 87135490) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is cis-(1S,5S)-1,3,3,5-tetramethylcyclohexan-1-amine;methanesulfonic acid.

Molecular Properties

Compound Namecis-(1S,5S)-1,3,3,5-tetramethylcyclohexan-1-amine;methanesulfonic acid
PubChem CID87135490
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Namecis-(1S,5S)-1,3,3,5-tetramethylcyclohexan-1-amine;methanesulfonic acid
SMILESCS(=O)(=O)O.C[C@H]1CC(C)(C)C[C@@](C)(N)C1
InChIInChI=1S/C10H21N.CH4O3S/c1-8-5-9(2,3)7-10(4,11)6-8;1-5(2,3)4/h8H,5-7,11H2,1-4H3;1H3,(H,2,3,4)/t8-,10-;/m0./s1
InChIKeyXZLFARHQFCGBJS-GNAZCLTHSA-N
XLogP2.05
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze cis-(1S,5S)-1,3,3,5-tetramethylcyclohexan-1-amine;methanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 11425584
CID 11425584
CID 25168299
CID 25168299
CID 71558789
CID 71558789
CID 87135626
CID 87135626
CID 87135712
CID 87135712
CID 87177693
CID 87177693
CID 121006237
CID 121006237
CID 164664959
CID 164664959

Frequently Asked Questions

What is the IUPAC name of cis-(1S,5S)-1,3,3,5-tetramethylcyclohexan-1-amine;methanesulfonic acid?
The IUPAC name of cis-(1S,5S)-1,3,3,5-tetramethylcyclohexan-1-amine;methanesulfonic acid (CID 87135490) is cis-(1S,5S)-1,3,3,5-tetramethylcyclohexan-1-amine;methanesulfonic acid.
What is the SMILES notation for cis-(1S,5S)-1,3,3,5-tetramethylcyclohexan-1-amine;methanesulfonic acid?
The canonical SMILES for cis-(1S,5S)-1,3,3,5-tetramethylcyclohexan-1-amine;methanesulfonic acid is CS(=O)(=O)O.C[C@H]1CC(C)(C)C[C@@](C)(N)C1.
What is the InChIKey of cis-(1S,5S)-1,3,3,5-tetramethylcyclohexan-1-amine;methanesulfonic acid?
The InChIKey is XZLFARHQFCGBJS-GNAZCLTHSA-N. The full InChI is InChI=1S/C10H21N.CH4O3S/c1-8-5-9(2,3)7-10(4,11)6-8;1-5(2,3)4/h8H,5-7,11H2,1-4H3;1H3,(H,2,3,4)/t8-,10-;/m0./s1.
What are the key properties of cis-(1S,5S)-1,3,3,5-tetramethylcyclohexan-1-amine;methanesulfonic acid?
cis-(1S,5S)-1,3,3,5-tetramethylcyclohexan-1-amine;methanesulfonic acid has a molecular weight of 251.39 g/mol, XLogP of 2.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,5S)-1,3,3,5-tetramethylcyclohexan-1-amine;methanesulfonic acid is sourced from PubChem (CID 87135490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).