(NE)-N-[1-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]propan-2-ylidene]hydroxylamine

C12H26N4O2 — CID 118409020

IUPAC(NE)-N-[1-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]propan-2-ylidene]hydroxylamine
SMILESC/C(CNCC(C)(C)CN[C@@H](C)/C(C)=N/O)=N\O
InChIInChI=1S/C12H26N4O2/c1-9(15-17)6-13-7-12(4,5)8-14-10(2)11(3)16-18/h10,13-14,17-18H,6-8H2,1-5H3/b15-9+,16-11+/t10-/m0/s1
InChIKeyZGVKAOGEAJSTJW-PFCJIYNHSA-N
MW258.37 g/mol
LogP1.28
Rot. Bonds8

About (NE)-N-[1-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]propan-2-ylidene]hydroxylamine

(NE)-N-[1-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]propan-2-ylidene]hydroxylamine (PubChem CID 118409020) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is (NE)-N-[1-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]propan-2-ylidene]hydroxylamine
PubChem CID118409020
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name(NE)-N-[1-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]propan-2-ylidene]hydroxylamine
SMILESC/C(CNCC(C)(C)CN[C@@H](C)/C(C)=N/O)=N\O
InChIInChI=1S/C12H26N4O2/c1-9(15-17)6-13-7-12(4,5)8-14-10(2)11(3)16-18/h10,13-14,17-18H,6-8H2,1-5H3/b15-9+,16-11+/t10-/m0/s1
InChIKeyZGVKAOGEAJSTJW-PFCJIYNHSA-N
XLogP1.28
TPSA89.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.28
H-Bond Donors ≤ 54
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-[(3S)-3-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]pent-4-en-2-ylidene]hydroxylamine
CID 144930683
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
CID 6850066
(NE)-N-[3-[2-[[(3E)-3-hydroxyiminobutan-2-yl]amino]ethylamino]butan-2-ylidene]hydroxylamine
CID 15447622
(NE)-N-[1-[[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine
CID 134834887
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
bis(N-[3-(2-aminoethylamino)butan-2-ylidene]hydroxylamine);cobalt(3+)
CID 6850067
N-[(3Z)-3-hydroxyiminobutan-2-yl]acetamide
CID 19164934
2-[(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid
CID 114494765
N-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 138745530
N-butan-2-yl-2-(2,2-dimethylbutylamino)acetamide
CID 103461294
[di(propan-2-yl)amino]-[[3-[[[di(propan-2-yl)amino]-hydroxymethyl]amino]-2,2-dimethylpropyl]amino]methanol
CID 134851214

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]propan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]propan-2-ylidene]hydroxylamine (CID 118409020) is (NE)-N-[1-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]propan-2-ylidene]hydroxylamine is C/C(CNCC(C)(C)CN[C@@H](C)/C(C)=N/O)=N\O.
What is the InChIKey of (NE)-N-[1-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]propan-2-ylidene]hydroxylamine?
The InChIKey is ZGVKAOGEAJSTJW-PFCJIYNHSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-9(15-17)6-13-7-12(4,5)8-14-10(2)11(3)16-18/h10,13-14,17-18H,6-8H2,1-5H3/b15-9+,16-11+/t10-/m0/s1.
What are the key properties of (NE)-N-[1-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]propan-2-ylidene]hydroxylamine?
(NE)-N-[1-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]propan-2-ylidene]hydroxylamine has a molecular weight of 258.37 g/mol, XLogP of 1.28, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 118409020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).