[4-(4-hydroxybutanoylamino)cyclohexyl] nitrate

C10H18N2O5 — CID 15133151

IUPAC[4-(4-hydroxybutanoylamino)cyclohexyl] nitrate
SMILESO=C(CCCO)NC1CCC(O[N+](=O)[O-])CC1
InChIInChI=1S/C10H18N2O5/c13-7-1-2-10(14)11-8-3-5-9(6-4-8)17-12(15)16/h8-9,13H,1-7H2,(H,11,14)
InChIKeyDXQOSDLQFJATCO-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.39
Rot. Bonds6

About [4-(4-hydroxybutanoylamino)cyclohexyl] nitrate

[4-(4-hydroxybutanoylamino)cyclohexyl] nitrate (PubChem CID 15133151) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is [4-(4-hydroxybutanoylamino)cyclohexyl] nitrate.

Molecular Properties

Compound Name[4-(4-hydroxybutanoylamino)cyclohexyl] nitrate
PubChem CID15133151
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name[4-(4-hydroxybutanoylamino)cyclohexyl] nitrate
SMILESO=C(CCCO)NC1CCC(O[N+](=O)[O-])CC1
InChIInChI=1S/C10H18N2O5/c13-7-1-2-10(14)11-8-3-5-9(6-4-8)17-12(15)16/h8-9,13H,1-7H2,(H,11,14)
InChIKeyDXQOSDLQFJATCO-UHFFFAOYSA-N
XLogP0.39
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-Acetamidocyclohexyl) nitrate
CID 178390
N-Cyclohexyl-4-hydroxy-5-nitropentanamide
CID 13156594
[4-(3-Aminopropanoylamino)cyclohexyl] nitrate
CID 14799048
[4-[3-(Dimethylamino)propanoylamino]cyclohexyl] nitrate
CID 14799066
N-(4-hydroxycyclohexyl)hexanamide
CID 15133116
N-(trans-4-nitroxycyclohexyl)-succinic acid monoamide
CID 15133132
N-(trans-4-nitroxycyclohexyl)-succinic acid diamide
CID 15133135
[4-[[4-(Dimethylamino)-4-oxobutanoyl]amino]cyclohexyl] nitrate
CID 15133137
trans-N-propionyl-4-nitroxycyclohexylamine
CID 15133140
[4-[(2-Hydroxyacetyl)amino]cyclohexyl] nitrate
CID 15133158
[4-(2-Hydroxypropanoylamino)cyclohexyl] nitrate
CID 15133159
[4-(2,2-Dimethylpropanoylamino)cyclohexyl] nitrate
CID 15683547

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxybutanoylamino)cyclohexyl] nitrate?
The IUPAC name of [4-(4-hydroxybutanoylamino)cyclohexyl] nitrate (CID 15133151) is [4-(4-hydroxybutanoylamino)cyclohexyl] nitrate.
What is the SMILES notation for [4-(4-hydroxybutanoylamino)cyclohexyl] nitrate?
The canonical SMILES for [4-(4-hydroxybutanoylamino)cyclohexyl] nitrate is O=C(CCCO)NC1CCC(O[N+](=O)[O-])CC1.
What is the InChIKey of [4-(4-hydroxybutanoylamino)cyclohexyl] nitrate?
The InChIKey is DXQOSDLQFJATCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c13-7-1-2-10(14)11-8-3-5-9(6-4-8)17-12(15)16/h8-9,13H,1-7H2,(H,11,14).
What are the key properties of [4-(4-hydroxybutanoylamino)cyclohexyl] nitrate?
[4-(4-hydroxybutanoylamino)cyclohexyl] nitrate has a molecular weight of 246.26 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxybutanoylamino)cyclohexyl] nitrate is sourced from PubChem (CID 15133151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).