(NE)-N-[(3S)-4-butoxy-3-prop-2-enoxybutylidene]hydroxylamine

C11H21NO3 — CID 173287427

IUPAC(NE)-N-[(3S)-4-butoxy-3-prop-2-enoxybutylidene]hydroxylamine
SMILESC=CCO[C@@H](C/C=N/O)COCCCC
InChIInChI=1S/C11H21NO3/c1-3-5-9-14-10-11(6-7-12-13)15-8-4-2/h4,7,11,13H,2-3,5-6,8-10H2,1H3/b12-7+/t11-/m0/s1
InChIKeyQTTNGKKECIKTTJ-WBOGTDJTSA-N
MW215.29 g/mol
LogP2.22
Rot. Bonds10

About (NE)-N-[(3S)-4-butoxy-3-prop-2-enoxybutylidene]hydroxylamine

(NE)-N-[(3S)-4-butoxy-3-prop-2-enoxybutylidene]hydroxylamine (PubChem CID 173287427) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (NE)-N-[(3S)-4-butoxy-3-prop-2-enoxybutylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3S)-4-butoxy-3-prop-2-enoxybutylidene]hydroxylamine
PubChem CID173287427
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(NE)-N-[(3S)-4-butoxy-3-prop-2-enoxybutylidene]hydroxylamine
SMILESC=CCO[C@@H](C/C=N/O)COCCCC
InChIInChI=1S/C11H21NO3/c1-3-5-9-14-10-11(6-7-12-13)15-8-4-2/h4,7,11,13H,2-3,5-6,8-10H2,1H3/b12-7+/t11-/m0/s1
InChIKeyQTTNGKKECIKTTJ-WBOGTDJTSA-N
XLogP2.22
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (NE)-N-[(3S)-4-butoxy-3-prop-2-enoxybutylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-4-butoxy-3-prop-2-enoxybutanal
CID 87415144
1-butoxy-2-(2-methoxy-3-prop-2-enoxypropoxy)butane
CID 59676185
(NZ)-N-[3-[2-[1-[2-[2,3-bis(2-but-3-enoxyethoxy)propoxy]ethoxy]-3-[2-[(3Z)-3-hydroxyiminopropoxy]ethoxy]propan-2-yl]oxyethoxy]propylidene]hydroxylamine
CID 172956935
sodium (3-dodecoxy-2-prop-2-enoxypropoxy)methanesulfonate
CID 58827399
1-hexadecoxy-3-prop-2-enoxypropan-2-ol
CID 86103577
1-[3-(3-hexadecoxy-2-hex-5-enoxypropyl)peroxy-2-hex-5-enoxypropoxy]hexadecane
CID 174471025
5-[1-[1-[2-[3-[2,3-bis[3-[2,3-bis(prop-2-enoxy)propoxy]-2-prop-2-enoxypropoxy]propoxy]-2-[3-[2-[2,3-bis(prop-2-enoxy)propoxy]-3-prop-2-enoxypropoxy]-2-prop-2-enoxypropoxy]propoxy]-3-[2-[2,3-bis(prop-2-enoxy)propoxy]-3-[3-[2,3-bis(prop-2-enoxy)propoxy]-2-[3-[2,3-bis(prop-2-enoxy)propoxy]-2-prop-2-enoxypropoxy]propoxy]propoxy]propoxy]-3-[3-[2,3-bis(prop-2-enoxy)propoxy]-2-prop-2-enoxypropoxy]propan-2-yl]oxy-3-[2,3-bis(prop-2-enoxy)propoxy]propan-2-yl]oxypent-1-ene
CID 102351484
1-[1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate
CID 21458420
dodecakis(hex-1-ene);3-pentoxypropane-1,2-diol
CID 174793085
1-butoxy-3-(prop-2-enylamino)propan-2-ol
CID 107262418
1,2-dibutoxyhexane
CID 19805858
3-butoxyhex-5-en-1-ol
CID 90780016

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(3S)-4-butoxy-3-prop-2-enoxybutylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3S)-4-butoxy-3-prop-2-enoxybutylidene]hydroxylamine (CID 173287427) is (NE)-N-[(3S)-4-butoxy-3-prop-2-enoxybutylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3S)-4-butoxy-3-prop-2-enoxybutylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3S)-4-butoxy-3-prop-2-enoxybutylidene]hydroxylamine is C=CCO[C@@H](C/C=N/O)COCCCC.
What is the InChIKey of (NE)-N-[(3S)-4-butoxy-3-prop-2-enoxybutylidene]hydroxylamine?
The InChIKey is QTTNGKKECIKTTJ-WBOGTDJTSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-5-9-14-10-11(6-7-12-13)15-8-4-2/h4,7,11,13H,2-3,5-6,8-10H2,1H3/b12-7+/t11-/m0/s1.
What are the key properties of (NE)-N-[(3S)-4-butoxy-3-prop-2-enoxybutylidene]hydroxylamine?
(NE)-N-[(3S)-4-butoxy-3-prop-2-enoxybutylidene]hydroxylamine has a molecular weight of 215.29 g/mol, XLogP of 2.22, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3S)-4-butoxy-3-prop-2-enoxybutylidene]hydroxylamine is sourced from PubChem (CID 173287427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).