1-cyclohexylpropan-2-amine;sulfuric acid

C9H21NO4S — CID 24837057

IUPAC1-cyclohexylpropan-2-amine;sulfuric acid
SMILESCC(N)CC1CCCCC1.O=S(=O)(O)O
InChIInChI=1S/C9H19N.H2O4S/c1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h8-9H,2-7,10H2,1H3;(H2,1,2,3,4)
InChIKeyHALWBWUSNSYXBS-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.65
Rot. Bonds2

About 1-cyclohexylpropan-2-amine;sulfuric acid

1-cyclohexylpropan-2-amine;sulfuric acid (PubChem CID 24837057) has the molecular formula C9H21NO4S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-cyclohexylpropan-2-amine;sulfuric acid.

Molecular Properties

Compound Name1-cyclohexylpropan-2-amine;sulfuric acid
PubChem CID24837057
Molecular FormulaC9H21NO4S
Molecular Weight239.34 g/mol
Exact Mass239.12
IUPAC Name1-cyclohexylpropan-2-amine;sulfuric acid
SMILESCC(N)CC1CCCCC1.O=S(=O)(O)O
InChIInChI=1S/C9H19N.H2O4S/c1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h8-9H,2-7,10H2,1H3;(H2,1,2,3,4)
InChIKeyHALWBWUSNSYXBS-UHFFFAOYSA-N
XLogP1.65
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexylamine, 4-hexyl-, hemisulfate
CID 217400
Cyclohexylamine, 2-(cyclohexylmethyl)-, sulfate (Z)-
CID 3063995
sodium N-(2-ethylcyclohexyl)sulfamate
CID 23663562
Sulfamic acid, (3-methylcyclohexyl)-
CID 158269
N-(2-methylcyclohexyl)sulfamic acid
CID 13115365
1,5-Dimethylhexylamine sulfate
CID 24838710
4-(3-Cyclopentylpropyl)cyclohexan-1-amine;sulfuric acid
CID 299385
4-(Cyclohexylmethyl)cyclohexan-1-amine;sulfuric acid
CID 299587
4-n-Hexylcyclohexylamine hemisulfate
CID 21128926
Sulfuric acid--4-(cyclopentylmethyl)cyclohexan-1-amine (1/1)
CID 54600404
(2-Methylcyclohexyl)sulfamic acid, cis-
CID 13115367
(2-Ethylcyclohexyl)sulfamic acid
CID 13115369

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpropan-2-amine;sulfuric acid?
The IUPAC name of 1-cyclohexylpropan-2-amine;sulfuric acid (CID 24837057) is 1-cyclohexylpropan-2-amine;sulfuric acid.
What is the SMILES notation for 1-cyclohexylpropan-2-amine;sulfuric acid?
The canonical SMILES for 1-cyclohexylpropan-2-amine;sulfuric acid is CC(N)CC1CCCCC1.O=S(=O)(O)O.
What is the InChIKey of 1-cyclohexylpropan-2-amine;sulfuric acid?
The InChIKey is HALWBWUSNSYXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.H2O4S/c1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h8-9H,2-7,10H2,1H3;(H2,1,2,3,4).
What are the key properties of 1-cyclohexylpropan-2-amine;sulfuric acid?
1-cyclohexylpropan-2-amine;sulfuric acid has a molecular weight of 239.34 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpropan-2-amine;sulfuric acid is sourced from PubChem (CID 24837057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).