N,N-dimethyl-1-nitroethanamine

C4H10N2O2 — CID 126755202

IUPACN,N-dimethyl-1-nitroethanamine
SMILESCC(N(C)C)[N+](=O)[O-]
InChIInChI=1S/C4H10N2O2/c1-4(5(2)3)6(7)8/h4H,1-3H3
InChIKeyZKGKXLLAJPOULS-UHFFFAOYSA-N
MW118.14 g/mol
LogP0.17
Rot. Bonds2

About N,N-dimethyl-1-nitroethanamine

N,N-dimethyl-1-nitroethanamine (PubChem CID 126755202) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is N,N-dimethyl-1-nitroethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-nitroethanamine
PubChem CID126755202
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC NameN,N-dimethyl-1-nitroethanamine
SMILESCC(N(C)C)[N+](=O)[O-]
InChIInChI=1S/C4H10N2O2/c1-4(5(2)3)6(7)8/h4H,1-3H3
InChIKeyZKGKXLLAJPOULS-UHFFFAOYSA-N
XLogP0.17
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-nitroethanamine?
The IUPAC name of N,N-dimethyl-1-nitroethanamine (CID 126755202) is N,N-dimethyl-1-nitroethanamine.
What is the SMILES notation for N,N-dimethyl-1-nitroethanamine?
The canonical SMILES for N,N-dimethyl-1-nitroethanamine is CC(N(C)C)[N+](=O)[O-].
What is the InChIKey of N,N-dimethyl-1-nitroethanamine?
The InChIKey is ZKGKXLLAJPOULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2/c1-4(5(2)3)6(7)8/h4H,1-3H3.
What are the key properties of N,N-dimethyl-1-nitroethanamine?
N,N-dimethyl-1-nitroethanamine has a molecular weight of 118.14 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-nitroethanamine is sourced from PubChem (CID 126755202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).