N-benzyl-N-methylethanamine;cyclohexylsulfamic acid

C16H28N2O3S — CID 173258331

IUPACN-benzyl-N-methylethanamine;cyclohexylsulfamic acid
SMILESCCN(C)Cc1ccccc1.O=S(=O)(O)NC1CCCCC1
InChIInChI=1S/C10H15N.C6H13NO3S/c1-3-11(2)9-10-7-5-4-6-8-10;8-11(9,10)7-6-4-2-1-3-5-6/h4-8H,3,9H2,1-2H3;6-7H,1-5H2,(H,8,9,10)
InChIKeyOYZXMJJRABIKFO-UHFFFAOYSA-N
MW328.48 g/mol
LogP2.85
Rot. Bonds5

About N-benzyl-N-methylethanamine;cyclohexylsulfamic acid

N-benzyl-N-methylethanamine;cyclohexylsulfamic acid (PubChem CID 173258331) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is N-benzyl-N-methylethanamine;cyclohexylsulfamic acid.

Molecular Properties

Compound NameN-benzyl-N-methylethanamine;cyclohexylsulfamic acid
PubChem CID173258331
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC NameN-benzyl-N-methylethanamine;cyclohexylsulfamic acid
SMILESCCN(C)Cc1ccccc1.O=S(=O)(O)NC1CCCCC1
InChIInChI=1S/C10H15N.C6H13NO3S/c1-3-11(2)9-10-7-5-4-6-8-10;8-11(9,10)7-6-4-2-1-3-5-6/h4-8H,3,9H2,1-2H3;6-7H,1-5H2,(H,8,9,10)
InChIKeyOYZXMJJRABIKFO-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl(cyclohexylsulfamoyl)carbamic acid
CID 66859599
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
cyclononylsulfamic acid
CID 67135870
[methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene
CID 79118112
cyclohexylsulfamic acid;hydrochloride
CID 67875894
cyclopentylsulfamic acid
CID 21123026
cyclohexylsulfamic acid;pyridine
CID 67576089
N-benzyl-N-methylethanamine;N,N-dimethylethanamine;ethane
CID 159486837
1-benzyl-3-cyclohexyl-1-ethylthiourea
CID 5098448
N'-benzyl-N-cyclododecyl-N'-methyloxamide
CID 108517350
1-[2-[benzyl(methyl)amino]ethyl]-3-cyclohexyl-2-methylguanidine
CID 110956986
2-(dibenzylamino)cyclohexan-1-ol;methanesulfonic acid
CID 86743264

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methylethanamine;cyclohexylsulfamic acid?
The IUPAC name of N-benzyl-N-methylethanamine;cyclohexylsulfamic acid (CID 173258331) is N-benzyl-N-methylethanamine;cyclohexylsulfamic acid.
What is the SMILES notation for N-benzyl-N-methylethanamine;cyclohexylsulfamic acid?
The canonical SMILES for N-benzyl-N-methylethanamine;cyclohexylsulfamic acid is CCN(C)Cc1ccccc1.O=S(=O)(O)NC1CCCCC1.
What is the InChIKey of N-benzyl-N-methylethanamine;cyclohexylsulfamic acid?
The InChIKey is OYZXMJJRABIKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C6H13NO3S/c1-3-11(2)9-10-7-5-4-6-8-10;8-11(9,10)7-6-4-2-1-3-5-6/h4-8H,3,9H2,1-2H3;6-7H,1-5H2,(H,8,9,10).
What are the key properties of N-benzyl-N-methylethanamine;cyclohexylsulfamic acid?
N-benzyl-N-methylethanamine;cyclohexylsulfamic acid has a molecular weight of 328.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methylethanamine;cyclohexylsulfamic acid is sourced from PubChem (CID 173258331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).