N-butyl-N-(2-hydroxyethyl)nitramide

C6H14N2O3 — CID 15403519

IUPACN-butyl-N-(2-hydroxyethyl)nitramide
SMILESCCCCN(CCO)[N+](=O)[O-]
InChIInChI=1S/C6H14N2O3/c1-2-3-4-7(5-6-9)8(10)11/h9H,2-6H2,1H3
InChIKeyZTOZZOQTIMYCQB-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.27
Rot. Bonds6

About N-butyl-N-(2-hydroxyethyl)nitramide

N-butyl-N-(2-hydroxyethyl)nitramide (PubChem CID 15403519) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)nitramide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)nitramide
PubChem CID15403519
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC NameN-butyl-N-(2-hydroxyethyl)nitramide
SMILESCCCCN(CCO)[N+](=O)[O-]
InChIInChI=1S/C6H14N2O3/c1-2-3-4-7(5-6-9)8(10)11/h9H,2-6H2,1H3
InChIKeyZTOZZOQTIMYCQB-UHFFFAOYSA-N
XLogP0.27
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-hydroxyethyl)nitramide;azide;dinitrate
CID 158150352
aluminum;butan-1-ol;trinitrate
CID 174555248
aniline;N,N-bis(2-hydroxyethyl)nitramide
CID 22734908
tetrakis(butan-1-ol);oxozirconium
CID 173370140
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
N-(2-hydroxyethyl)-N-methylnitramide;nitric acid
CID 23619411
[butyl(nitro)amino] acetate
CID 134996088
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
2-[butyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 81136682
2-(N-butyl-5-chloro-2-nitroanilino)ethanol
CID 113316454
bis(2-[butyl(2-hydroxyethyl)amino]ethanol);sulfuric acid
CID 173031476
N-dodecyl-N-heptyldodecan-1-amine;nitric acid
CID 175333869

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)nitramide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)nitramide (CID 15403519) is N-butyl-N-(2-hydroxyethyl)nitramide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)nitramide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)nitramide is CCCCN(CCO)[N+](=O)[O-].
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)nitramide?
The InChIKey is ZTOZZOQTIMYCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-2-3-4-7(5-6-9)8(10)11/h9H,2-6H2,1H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)nitramide?
N-butyl-N-(2-hydroxyethyl)nitramide has a molecular weight of 162.19 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)nitramide is sourced from PubChem (CID 15403519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).