N-propylcyclohexanamine;sulfuric acid

C9H21NO4S — CID 22994805

IUPACN-propylcyclohexanamine;sulfuric acid
SMILESCCCNC1CCCCC1.O=S(=O)(O)O
InChIInChI=1S/C9H19N.H2O4S/c1-2-8-10-9-6-4-3-5-7-9;1-5(2,3)4/h9-10H,2-8H2,1H3;(H2,1,2,3,4)
InChIKeyUSNSZDGGVXIHTC-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.67
Rot. Bonds3

About N-propylcyclohexanamine;sulfuric acid

N-propylcyclohexanamine;sulfuric acid (PubChem CID 22994805) has the molecular formula C9H21NO4S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-propylcyclohexanamine;sulfuric acid.

Molecular Properties

Compound NameN-propylcyclohexanamine;sulfuric acid
PubChem CID22994805
Molecular FormulaC9H21NO4S
Molecular Weight239.34 g/mol
Exact Mass239.12
IUPAC NameN-propylcyclohexanamine;sulfuric acid
SMILESCCCNC1CCCCC1.O=S(=O)(O)O
InChIInChI=1S/C9H19N.H2O4S/c1-2-8-10-9-6-4-3-5-7-9;1-5(2,3)4/h9-10H,2-8H2,1H3;(H2,1,2,3,4)
InChIKeyUSNSZDGGVXIHTC-UHFFFAOYSA-N
XLogP1.67
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-propylcyclohexanamine;sulfuric 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

azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
4-N-cyclohexyl-1-N-propylcyclohexane-1,4-diamine
CID 82934190
N-dodecylcyclohexanamine
CID 3679395
2-(cyclohexylamino)-N-octylethanesulfonamide
CID 45480035
3-(cyclohexylamino)propane-1-sulfonic acid;N,N-diethylethanamine
CID 87233170
N-[4-(propylamino)cyclohexyl]cyclooctanecarboxamide
CID 65019205
N-(3-butylsulfonylpropyl)cyclopentanamine
CID 106512483
N-butylcyclohexanamine;molecular hydrogen
CID 143047743
N-[3-(cycloheptylamino)propyl]-N-ethylmethanesulfonamide
CID 54903530
2-(cyclooctylamino)ethanesulfonate
CID 153294230
N-propyl-2-propylsulfonylcyclooctan-1-amine
CID 64644715

Frequently Asked Questions

What is the IUPAC name of N-propylcyclohexanamine;sulfuric acid?
The IUPAC name of N-propylcyclohexanamine;sulfuric acid (CID 22994805) is N-propylcyclohexanamine;sulfuric acid.
What is the SMILES notation for N-propylcyclohexanamine;sulfuric acid?
The canonical SMILES for N-propylcyclohexanamine;sulfuric acid is CCCNC1CCCCC1.O=S(=O)(O)O.
What is the InChIKey of N-propylcyclohexanamine;sulfuric acid?
The InChIKey is USNSZDGGVXIHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.H2O4S/c1-2-8-10-9-6-4-3-5-7-9;1-5(2,3)4/h9-10H,2-8H2,1H3;(H2,1,2,3,4).
What are the key properties of N-propylcyclohexanamine;sulfuric acid?
N-propylcyclohexanamine;sulfuric acid has a molecular weight of 239.34 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylcyclohexanamine;sulfuric acid is sourced from PubChem (CID 22994805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).