(NE)-N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methylidene]hydroxylamine

C10H16N4O2 — CID 140737146

IUPAC(NE)-N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methylidene]hydroxylamine
SMILESO/N=C/c1nccn1CCN1CCOCC1
InChIInChI=1S/C10H16N4O2/c15-12-9-10-11-1-2-14(10)4-3-13-5-7-16-8-6-13/h1-2,9,15H,3-8H2/b12-9+
InChIKeyXJWFGCDUBMILMP-FMIVXFBMSA-N
MW224.26 g/mol
LogP0.02
Rot. Bonds4

About (NE)-N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methylidene]hydroxylamine

(NE)-N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methylidene]hydroxylamine (PubChem CID 140737146) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (NE)-N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methylidene]hydroxylamine
PubChem CID140737146
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(NE)-N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methylidene]hydroxylamine
SMILESO/N=C/c1nccn1CCN1CCOCC1
InChIInChI=1S/C10H16N4O2/c15-12-9-10-11-1-2-14(10)4-3-13-5-7-16-8-6-13/h1-2,9,15H,3-8H2/b12-9+
InChIKeyXJWFGCDUBMILMP-FMIVXFBMSA-N
XLogP0.02
TPSA62.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[[1-(3-bromopropyl)imidazol-2-yl]methylidene]hydroxylamine
CID 136951143
2-[1-(2-morpholin-4-ylethyl)imidazol-2-yl]acetic acid
CID 69289077
(NZ)-N-[(1-prop-2-ynylimidazol-2-yl)methylidene]hydroxylamine
CID 137395527
(NE)-N-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methylidene]hydroxylamine
CID 140658225
N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 55048615
2-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]acetic acid
CID 82560173
N-[(1-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 46784360
3-[2-(morpholin-4-ylmethyl)imidazol-1-yl]propan-1-ol
CID 91503690
4-[2-[2-(3-bromophenyl)imidazol-1-yl]ethyl]morpholine
CID 82562319
1-[4-[2-[(E)-hydroxyiminomethyl]imidazol-1-yl]butyl]-3,6-dimethylpyrimidine-2,4-dione
CID 155545245
4-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]butan-1-amine
CID 82558293
2-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-4-N-(3-morpholin-4-ylpropyl)quinazoline-2,4-diamine
CID 66572656

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methylidene]hydroxylamine (CID 140737146) is (NE)-N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methylidene]hydroxylamine is O/N=C/c1nccn1CCN1CCOCC1.
What is the InChIKey of (NE)-N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methylidene]hydroxylamine?
The InChIKey is XJWFGCDUBMILMP-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H16N4O2/c15-12-9-10-11-1-2-14(10)4-3-13-5-7-16-8-6-13/h1-2,9,15H,3-8H2/b12-9+.
What are the key properties of (NE)-N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methylidene]hydroxylamine?
(NE)-N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methylidene]hydroxylamine has a molecular weight of 224.26 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methylidene]hydroxylamine is sourced from PubChem (CID 140737146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).