ethane;N-ethyl-N-methyl-4-nitrosobutan-1-amine

C9H22N2O — CID 143337116

IUPACethane;N-ethyl-N-methyl-4-nitrosobutan-1-amine
SMILESCC.CCN(C)CCCCN=O
InChIInChI=1S/C7H16N2O.C2H6/c1-3-9(2)7-5-4-6-8-10;1-2/h3-7H2,1-2H3;1-2H3
InChIKeyGLTCEEDNOJGWNT-UHFFFAOYSA-N
MW174.29 g/mol
LogP2.51
Rot. Bonds6

About ethane;N-ethyl-N-methyl-4-nitrosobutan-1-amine

ethane;N-ethyl-N-methyl-4-nitrosobutan-1-amine (PubChem CID 143337116) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is ethane;N-ethyl-N-methyl-4-nitrosobutan-1-amine.

Molecular Properties

Compound Nameethane;N-ethyl-N-methyl-4-nitrosobutan-1-amine
PubChem CID143337116
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Nameethane;N-ethyl-N-methyl-4-nitrosobutan-1-amine
SMILESCC.CCN(C)CCCCN=O
InChIInChI=1S/C7H16N2O.C2H6/c1-3-9(2)7-5-4-6-8-10;1-2/h3-7H2,1-2H3;1-2H3
InChIKeyGLTCEEDNOJGWNT-UHFFFAOYSA-N
XLogP2.51
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-methyl-4-nitrosobutan-1-amine?
The IUPAC name of ethane;N-ethyl-N-methyl-4-nitrosobutan-1-amine (CID 143337116) is ethane;N-ethyl-N-methyl-4-nitrosobutan-1-amine.
What is the SMILES notation for ethane;N-ethyl-N-methyl-4-nitrosobutan-1-amine?
The canonical SMILES for ethane;N-ethyl-N-methyl-4-nitrosobutan-1-amine is CC.CCN(C)CCCCN=O.
What is the InChIKey of ethane;N-ethyl-N-methyl-4-nitrosobutan-1-amine?
The InChIKey is GLTCEEDNOJGWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C2H6/c1-3-9(2)7-5-4-6-8-10;1-2/h3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;N-ethyl-N-methyl-4-nitrosobutan-1-amine?
ethane;N-ethyl-N-methyl-4-nitrosobutan-1-amine has a molecular weight of 174.29 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-methyl-4-nitrosobutan-1-amine is sourced from PubChem (CID 143337116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).