(NE)-N-[(3S)-3-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]pent-4-en-2-ylidene]hydroxylamine

C14H28N4O2 — CID 144930683

IUPAC(NE)-N-[(3S)-3-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]pent-4-en-2-ylidene]hydroxylamine
SMILESC=C[C@H](NCC(C)(C)CN[C@@H](C)/C(C)=N/O)/C(C)=N/O
InChIInChI=1S/C14H28N4O2/c1-7-13(12(4)18-20)16-9-14(5,6)8-15-10(2)11(3)17-19/h7,10,13,15-16,19-20H,1,8-9H2,2-6H3/b17-11+,18-12+/t10-,13-/m0/s1
InChIKeyZRLJSMXBMHUCFR-LRAUOPGSSA-N
MW284.40 g/mol
LogP1.84
Rot. Bonds9

About (NE)-N-[(3S)-3-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]pent-4-en-2-ylidene]hydroxylamine

(NE)-N-[(3S)-3-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]pent-4-en-2-ylidene]hydroxylamine (PubChem CID 144930683) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (NE)-N-[(3S)-3-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]pent-4-en-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3S)-3-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]pent-4-en-2-ylidene]hydroxylamine
PubChem CID144930683
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name(NE)-N-[(3S)-3-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]pent-4-en-2-ylidene]hydroxylamine
SMILESC=C[C@H](NCC(C)(C)CN[C@@H](C)/C(C)=N/O)/C(C)=N/O
InChIInChI=1S/C14H28N4O2/c1-7-13(12(4)18-20)16-9-14(5,6)8-15-10(2)11(3)17-19/h7,10,13,15-16,19-20H,1,8-9H2,2-6H3/b17-11+,18-12+/t10-,13-/m0/s1
InChIKeyZRLJSMXBMHUCFR-LRAUOPGSSA-N
XLogP1.84
TPSA89.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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)-3-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]pent-4-en-2-ylidene]hydroxylamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(3S)-3-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]pent-4-en-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3S)-3-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]pent-4-en-2-ylidene]hydroxylamine (CID 144930683) is (NE)-N-[(3S)-3-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]pent-4-en-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3S)-3-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]pent-4-en-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3S)-3-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]pent-4-en-2-ylidene]hydroxylamine is C=C[C@H](NCC(C)(C)CN[C@@H](C)/C(C)=N/O)/C(C)=N/O.
What is the InChIKey of (NE)-N-[(3S)-3-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]pent-4-en-2-ylidene]hydroxylamine?
The InChIKey is ZRLJSMXBMHUCFR-LRAUOPGSSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-7-13(12(4)18-20)16-9-14(5,6)8-15-10(2)11(3)17-19/h7,10,13,15-16,19-20H,1,8-9H2,2-6H3/b17-11+,18-12+/t10-,13-/m0/s1.
What are the key properties of (NE)-N-[(3S)-3-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]pent-4-en-2-ylidene]hydroxylamine?
(NE)-N-[(3S)-3-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]pent-4-en-2-ylidene]hydroxylamine has a molecular weight of 284.40 g/mol, XLogP of 1.84, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3S)-3-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]pent-4-en-2-ylidene]hydroxylamine is sourced from PubChem (CID 144930683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).