(dicyclohexylamino) nitrate

C12H22N2O3 — CID 141326529

IUPAC(dicyclohexylamino) nitrate
SMILESO=[N+]([O-])ON(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C12H22N2O3/c15-14(16)17-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyPZIQVKFXMSRZLE-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.08
Rot. Bonds4

About (dicyclohexylamino) nitrate

(dicyclohexylamino) nitrate (PubChem CID 141326529) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (dicyclohexylamino) nitrate.

Molecular Properties

Compound Name(dicyclohexylamino) nitrate
PubChem CID141326529
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(dicyclohexylamino) nitrate
SMILESO=[N+]([O-])ON(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C12H22N2O3/c15-14(16)17-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyPZIQVKFXMSRZLE-UHFFFAOYSA-N
XLogP3.08
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

cyclododecyl nitrate
CID 13304339
(dicyclohexylamino) 3-nitrobenzoate
CID 174450563
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;nitric acid
CID 20519095
cyclohexyloxy nitrate
CID 100959003
azane;(dicyclohexylamino) nitrite
CID 87489236
(2-nitrooxycyclopentyl) nitrate
CID 90699417
cyclooctane;nitric acid
CID 162188863
cis-(1R,2S)-N-cyclooctyl-N-methyl-2-nitrocyclopropane-1-carboxamide
CID 96998079
N-methyl-N-(1-methylsulfanyl-2-nitroethenyl)cyclohexanamine
CID 69073431
dicyclohexyldiazene;nitric acid
CID 19801404
2-cyclohexylethyl nitrate
CID 57206910
nitric acid;tricyclohexyl(hydroxy)silane
CID 71398230

Frequently Asked Questions

What is the IUPAC name of (dicyclohexylamino) nitrate?
The IUPAC name of (dicyclohexylamino) nitrate (CID 141326529) is (dicyclohexylamino) nitrate.
What is the SMILES notation for (dicyclohexylamino) nitrate?
The canonical SMILES for (dicyclohexylamino) nitrate is O=[N+]([O-])ON(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (dicyclohexylamino) nitrate?
The InChIKey is PZIQVKFXMSRZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c15-14(16)17-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2.
What are the key properties of (dicyclohexylamino) nitrate?
(dicyclohexylamino) nitrate has a molecular weight of 242.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (dicyclohexylamino) nitrate is sourced from PubChem (CID 141326529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).