2-ethyl-2-nitrobutan-1-amine

C6H14N2O2 — CID 122605917

IUPAC2-ethyl-2-nitrobutan-1-amine
SMILESCCC(CC)(CN)[N+](=O)[O-]
InChIInChI=1S/C6H14N2O2/c1-3-6(4-2,5-7)8(9)10/h3-5,7H2,1-2H3
InChIKeyBVCMCKFQESLJLE-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.78
Rot. Bonds4

About 2-ethyl-2-nitrobutan-1-amine

2-ethyl-2-nitrobutan-1-amine (PubChem CID 122605917) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-ethyl-2-nitrobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-nitrobutan-1-amine
PubChem CID122605917
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name2-ethyl-2-nitrobutan-1-amine
SMILESCCC(CC)(CN)[N+](=O)[O-]
InChIInChI=1S/C6H14N2O2/c1-3-6(4-2,5-7)8(9)10/h3-5,7H2,1-2H3
InChIKeyBVCMCKFQESLJLE-UHFFFAOYSA-N
XLogP0.78
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.78
H-Bond Donors ≤ 51
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-ethyl-2-nitropropane-1,3-diol;hexane-1,6-diamine
CID 131729996
ethanamine;2-(hydroxymethyl)-2-nitropropane-1,3-diol
CID 174743250
3,3-dimethylpentane;tris(nitric acid)
CID 173399914
2-ethyl-2-nitrooctan-1-ol;nitric acid
CID 88722993
2-nitrobutan-2-ol
CID 87824287
6-[2-(hydroxymethyl)-2-nitrobutoxy]-6-oxohexanoic acid
CID 175172995
tris(nitric acid);propane-1,1,1-triol
CID 173173242
butane;ethanamine;bis(nitric acid)
CID 175325430
butane-1,2,2-triamine
CID 19824437
3-methyl-3-nitropentane-1,5-diamine;dihydrochloride
CID 131872100
2-nitro-2-pentylheptan-1-ol
CID 87201094
CID 174619786
CID 174619786

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-nitrobutan-1-amine?
The IUPAC name of 2-ethyl-2-nitrobutan-1-amine (CID 122605917) is 2-ethyl-2-nitrobutan-1-amine.
What is the SMILES notation for 2-ethyl-2-nitrobutan-1-amine?
The canonical SMILES for 2-ethyl-2-nitrobutan-1-amine is CCC(CC)(CN)[N+](=O)[O-].
What is the InChIKey of 2-ethyl-2-nitrobutan-1-amine?
The InChIKey is BVCMCKFQESLJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-3-6(4-2,5-7)8(9)10/h3-5,7H2,1-2H3.
What are the key properties of 2-ethyl-2-nitrobutan-1-amine?
2-ethyl-2-nitrobutan-1-amine has a molecular weight of 146.19 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-nitrobutan-1-amine is sourced from PubChem (CID 122605917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).