N,N-diethyl-2-nitrohexanamide

C10H20N2O3 — CID 15581421

IUPACN,N-diethyl-2-nitrohexanamide
SMILESCCCCC(C(=O)N(CC)CC)[N+](=O)[O-]
InChIInChI=1S/C10H20N2O3/c1-4-7-8-9(12(14)15)10(13)11(5-2)6-3/h9H,4-8H2,1-3H3
InChIKeyOQVHCCSWTUWDTF-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.69
Rot. Bonds7

About N,N-diethyl-2-nitrohexanamide

N,N-diethyl-2-nitrohexanamide (PubChem CID 15581421) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is N,N-diethyl-2-nitrohexanamide.

Molecular Properties

Compound NameN,N-diethyl-2-nitrohexanamide
PubChem CID15581421
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC NameN,N-diethyl-2-nitrohexanamide
SMILESCCCCC(C(=O)N(CC)CC)[N+](=O)[O-]
InChIInChI=1S/C10H20N2O3/c1-4-7-8-9(12(14)15)10(13)11(5-2)6-3/h9H,4-8H2,1-3H3
InChIKeyOQVHCCSWTUWDTF-UHFFFAOYSA-N
XLogP1.69
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-nitrohexanoic acid
CID 57436977
2-nitroheptanoic acid
CID 22237024
4-nitrononan-3-one
CID 13140430
N,N-diethyl-2-octyldodecanamide
CID 54517458
10-nitrooctadecan-9-one
CID 174715744
(3R)-2-nitroheptan-3-ol
CID 57225952
azanium 5-nitrododecan-4-one
CID 21447408
2-(1-nitroethyl)hexanoic acid
CID 88804455
N,N-diethyl-2-prop-2-enylhexanamide
CID 10680018
barium(2+);hydride;4-nitrodecan-5-one
CID 173462508
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
2-nitrohexan-1-ol
CID 21389445

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-nitrohexanamide?
The IUPAC name of N,N-diethyl-2-nitrohexanamide (CID 15581421) is N,N-diethyl-2-nitrohexanamide.
What is the SMILES notation for N,N-diethyl-2-nitrohexanamide?
The canonical SMILES for N,N-diethyl-2-nitrohexanamide is CCCCC(C(=O)N(CC)CC)[N+](=O)[O-].
What is the InChIKey of N,N-diethyl-2-nitrohexanamide?
The InChIKey is OQVHCCSWTUWDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-7-8-9(12(14)15)10(13)11(5-2)6-3/h9H,4-8H2,1-3H3.
What are the key properties of N,N-diethyl-2-nitrohexanamide?
N,N-diethyl-2-nitrohexanamide has a molecular weight of 216.28 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-nitrohexanamide is sourced from PubChem (CID 15581421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).