(NE)-N-[3-[2-[[(3E)-3-hydroxyiminobutan-2-yl]amino]ethylamino]butan-2-ylidene]hydroxylamine

C10H22N4O2 — CID 15447622

IUPAC(NE)-N-[3-[2-[[(3E)-3-hydroxyiminobutan-2-yl]amino]ethylamino]butan-2-ylidene]hydroxylamine
SMILESC/C(=N\O)C(C)NCCNC(C)/C(C)=N/O
InChIInChI=1S/C10H22N4O2/c1-7(9(3)13-15)11-5-6-12-8(2)10(4)14-16/h7-8,11-12,15-16H,5-6H2,1-4H3/b13-9+,14-10+
InChIKeyZKNVPRSFXXZTOZ-UTLPMFLDSA-N
MW230.31 g/mol
LogP0.64
Rot. Bonds7

About (NE)-N-[3-[2-[[(3E)-3-hydroxyiminobutan-2-yl]amino]ethylamino]butan-2-ylidene]hydroxylamine

(NE)-N-[3-[2-[[(3E)-3-hydroxyiminobutan-2-yl]amino]ethylamino]butan-2-ylidene]hydroxylamine (PubChem CID 15447622) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (NE)-N-[3-[2-[[(3E)-3-hydroxyiminobutan-2-yl]amino]ethylamino]butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3-[2-[[(3E)-3-hydroxyiminobutan-2-yl]amino]ethylamino]butan-2-ylidene]hydroxylamine
PubChem CID15447622
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name(NE)-N-[3-[2-[[(3E)-3-hydroxyiminobutan-2-yl]amino]ethylamino]butan-2-ylidene]hydroxylamine
SMILESC/C(=N\O)C(C)NCCNC(C)/C(C)=N/O
InChIInChI=1S/C10H22N4O2/c1-7(9(3)13-15)11-5-6-12-8(2)10(4)14-16/h7-8,11-12,15-16H,5-6H2,1-4H3/b13-9+,14-10+
InChIKeyZKNVPRSFXXZTOZ-UTLPMFLDSA-N
XLogP0.64
TPSA89.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.64
H-Bond Donors ≤ 54
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'}

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Related Compounds

bis(N-[3-(2-aminoethylamino)butan-2-ylidene]hydroxylamine);cobalt(3+)
CID 6850067
N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine
CID 6850066
(NZ)-N-[2-[2-[[(3Z)-3-hydroxyiminopentan-2-yl]amino]ethylamino]pentan-3-ylidene]hydroxylamine
CID 101001650
N-[(3Z)-3-hydroxyiminobutan-2-yl]acetamide
CID 19164934
(NE)-N-[1-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]propan-2-ylidene]hydroxylamine
CID 118409020
(NE)-N-[(3S)-3-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]pent-4-en-2-ylidene]hydroxylamine
CID 144930683
N-[2-[3-(3-hydroxyiminopentan-2-ylamino)propylamino]pentan-3-ylidene]hydroxylamine
CID 165355226
2,2-dimethylpropane-1,3-diamine;(3E)-3-hydroxyiminobutan-2-one;(NE)-N-[(3S)-3-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]butan-2-ylidene]hydroxylamine;(NE)-N-[(3R)-3-[[3-[[(2R,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]butan-2-ylidene]hydroxylamine
CID 172936205
N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine;N-[3-(2-amino-2-methylpropyl)iminobutan-2-ylidene]hydroxylamine;cobalt(2+)
CID 135472000
N'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide
CID 77029418
3-(butylamino)butane-2-thione
CID 123548985
N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide
CID 77028476

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[3-[2-[[(3E)-3-hydroxyiminobutan-2-yl]amino]ethylamino]butan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3-[2-[[(3E)-3-hydroxyiminobutan-2-yl]amino]ethylamino]butan-2-ylidene]hydroxylamine (CID 15447622) is (NE)-N-[3-[2-[[(3E)-3-hydroxyiminobutan-2-yl]amino]ethylamino]butan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3-[2-[[(3E)-3-hydroxyiminobutan-2-yl]amino]ethylamino]butan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3-[2-[[(3E)-3-hydroxyiminobutan-2-yl]amino]ethylamino]butan-2-ylidene]hydroxylamine is C/C(=N\O)C(C)NCCNC(C)/C(C)=N/O.
What is the InChIKey of (NE)-N-[3-[2-[[(3E)-3-hydroxyiminobutan-2-yl]amino]ethylamino]butan-2-ylidene]hydroxylamine?
The InChIKey is ZKNVPRSFXXZTOZ-UTLPMFLDSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-7(9(3)13-15)11-5-6-12-8(2)10(4)14-16/h7-8,11-12,15-16H,5-6H2,1-4H3/b13-9+,14-10+.
What are the key properties of (NE)-N-[3-[2-[[(3E)-3-hydroxyiminobutan-2-yl]amino]ethylamino]butan-2-ylidene]hydroxylamine?
(NE)-N-[3-[2-[[(3E)-3-hydroxyiminobutan-2-yl]amino]ethylamino]butan-2-ylidene]hydroxylamine has a molecular weight of 230.31 g/mol, XLogP of 0.64, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[3-[2-[[(3E)-3-hydroxyiminobutan-2-yl]amino]ethylamino]butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 15447622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).