N-ethoxy-1-(methylideneamino)oxypropan-1-amine

C6H14N2O2 — CID 163709200

IUPACN-ethoxy-1-(methylideneamino)oxypropan-1-amine
SMILESC=NOC(CC)NOCC
InChIInChI=1S/C6H14N2O2/c1-4-6(10-7-3)8-9-5-2/h6,8H,3-5H2,1-2H3
InChIKeyKHSNEAGKOBHTCO-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.90
Rot. Bonds6

About N-ethoxy-1-(methylideneamino)oxypropan-1-amine

N-ethoxy-1-(methylideneamino)oxypropan-1-amine (PubChem CID 163709200) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is N-ethoxy-1-(methylideneamino)oxypropan-1-amine.

Molecular Properties

Compound NameN-ethoxy-1-(methylideneamino)oxypropan-1-amine
PubChem CID163709200
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC NameN-ethoxy-1-(methylideneamino)oxypropan-1-amine
SMILESC=NOC(CC)NOCC
InChIInChI=1S/C6H14N2O2/c1-4-6(10-7-3)8-9-5-2/h6,8H,3-5H2,1-2H3
InChIKeyKHSNEAGKOBHTCO-UHFFFAOYSA-N
XLogP0.90
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-ethoxy-1-(methylideneamino)oxypropan-1-amine?
The IUPAC name of N-ethoxy-1-(methylideneamino)oxypropan-1-amine (CID 163709200) is N-ethoxy-1-(methylideneamino)oxypropan-1-amine.
What is the SMILES notation for N-ethoxy-1-(methylideneamino)oxypropan-1-amine?
The canonical SMILES for N-ethoxy-1-(methylideneamino)oxypropan-1-amine is C=NOC(CC)NOCC.
What is the InChIKey of N-ethoxy-1-(methylideneamino)oxypropan-1-amine?
The InChIKey is KHSNEAGKOBHTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-4-6(10-7-3)8-9-5-2/h6,8H,3-5H2,1-2H3.
What are the key properties of N-ethoxy-1-(methylideneamino)oxypropan-1-amine?
N-ethoxy-1-(methylideneamino)oxypropan-1-amine has a molecular weight of 146.19 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-(methylideneamino)oxypropan-1-amine is sourced from PubChem (CID 163709200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).