(NE)-N-[2-[3-[[(1E)-1-hydroxyiminopropan-2-ylidene]amino]propylimino]propylidene]hydroxylamine

C9H16N4O2 — CID 177464159

IUPAC(NE)-N-[2-[3-[[(1E)-1-hydroxyiminopropan-2-ylidene]amino]propylimino]propylidene]hydroxylamine
SMILESCC(/C=N/O)=N\CCC/N=C(C)/C=N/O
InChIInChI=1S/C9H16N4O2/c1-8(6-12-14)10-4-3-5-11-9(2)7-13-15/h6-7,14-15H,3-5H2,1-2H3/b10-8+,11-9+,12-6+,13-7+
InChIKeyBDKIWTYYIMSKNW-KVUIFMNVSA-N
MW212.25 g/mol
LogP1.22
Rot. Bonds6

About (NE)-N-[2-[3-[[(1E)-1-hydroxyiminopropan-2-ylidene]amino]propylimino]propylidene]hydroxylamine

(NE)-N-[2-[3-[[(1E)-1-hydroxyiminopropan-2-ylidene]amino]propylimino]propylidene]hydroxylamine (PubChem CID 177464159) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is (NE)-N-[2-[3-[[(1E)-1-hydroxyiminopropan-2-ylidene]amino]propylimino]propylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-[3-[[(1E)-1-hydroxyiminopropan-2-ylidene]amino]propylimino]propylidene]hydroxylamine
PubChem CID177464159
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name(NE)-N-[2-[3-[[(1E)-1-hydroxyiminopropan-2-ylidene]amino]propylimino]propylidene]hydroxylamine
SMILESCC(/C=N/O)=N\CCC/N=C(C)/C=N/O
InChIInChI=1S/C9H16N4O2/c1-8(6-12-14)10-4-3-5-11-9(2)7-13-15/h6-7,14-15H,3-5H2,1-2H3/b10-8+,11-9+,12-6+,13-7+
InChIKeyBDKIWTYYIMSKNW-KVUIFMNVSA-N
XLogP1.22
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (NE)-N-[2-[3-[[(1E)-1-hydroxyiminopropan-2-ylidene]amino]propylimino]propylidene]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

(NE)-N-[(1Z)-1-hydroxyiminopropan-2-ylidene]hydroxylamine
CID 135538356
N-(1-hydroxyiminopropan-2-ylidene)hydroxylamine;nickel
CID 161461506
2-hydroxyimino-N,N-dimethyl-N'-pentylethanimidamide
CID 136598188
chromium;N-(2-methoxyiminopropylidene)hydroxylamine
CID 174360652
CID 173271902
CID 173271902
2-hydroxyimino-N'-(3-methoxypropyl)-N,N-dimethylethanimidamide;hydrochloride
CID 136598189
CID 174297388
CID 174297388
copper (Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate
CID 6432420
N-propylpent-3-en-2-imine
CID 123895305
(NE)-N-(3-pentyliminobutan-2-ylidene)hydroxylamine
CID 177494784
[(3E)-3-hydroxyimino-2-oxopropyl]-dimethylsulfanium chloride
CID 45266307
N-[(E)-2-aminoprop-1-enyl]-N'-(3-hydroxypropyl)ethanimidamide
CID 142097612

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-[3-[[(1E)-1-hydroxyiminopropan-2-ylidene]amino]propylimino]propylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-[3-[[(1E)-1-hydroxyiminopropan-2-ylidene]amino]propylimino]propylidene]hydroxylamine (CID 177464159) is (NE)-N-[2-[3-[[(1E)-1-hydroxyiminopropan-2-ylidene]amino]propylimino]propylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-[3-[[(1E)-1-hydroxyiminopropan-2-ylidene]amino]propylimino]propylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-[3-[[(1E)-1-hydroxyiminopropan-2-ylidene]amino]propylimino]propylidene]hydroxylamine is CC(/C=N/O)=N\CCC/N=C(C)/C=N/O.
What is the InChIKey of (NE)-N-[2-[3-[[(1E)-1-hydroxyiminopropan-2-ylidene]amino]propylimino]propylidene]hydroxylamine?
The InChIKey is BDKIWTYYIMSKNW-KVUIFMNVSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-8(6-12-14)10-4-3-5-11-9(2)7-13-15/h6-7,14-15H,3-5H2,1-2H3/b10-8+,11-9+,12-6+,13-7+.
What are the key properties of (NE)-N-[2-[3-[[(1E)-1-hydroxyiminopropan-2-ylidene]amino]propylimino]propylidene]hydroxylamine?
(NE)-N-[2-[3-[[(1E)-1-hydroxyiminopropan-2-ylidene]amino]propylimino]propylidene]hydroxylamine has a molecular weight of 212.25 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-[3-[[(1E)-1-hydroxyiminopropan-2-ylidene]amino]propylimino]propylidene]hydroxylamine is sourced from PubChem (CID 177464159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).