N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine;N-[3-(2-amino-2-methylpropyl)iminobutan-2-ylidene]hydroxylamine;cobalt(2+)

C16H36CoN6O2+2 — CID 135472000

IUPACN-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine;N-[3-(2-amino-2-methylpropyl)iminobutan-2-ylidene]hydroxylamine;cobalt(2+)
SMILESCC(=NO)/C(C)=N/CC(C)(C)N.CC(=NO)C(C)NCC(C)(C)N.[Co+2]
InChIInChI=1S/C8H19N3O.C8H17N3O.Co/c2*1-6(7(2)11-12)10-5-8(3,4)9;/h6,10,12H,5,9H2,1-4H3;12H,5,9H2,1-4H3;/q;;+2/b;10-6+,11-7?;
InChIKeyWNWPBZDWUKIUTK-QOERDDSPSA-N
MW403.44 g/mol
LogP1.58
Rot. Bonds7

About N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine;N-[3-(2-amino-2-methylpropyl)iminobutan-2-ylidene]hydroxylamine;cobalt(2+)

N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine;N-[3-(2-amino-2-methylpropyl)iminobutan-2-ylidene]hydroxylamine;cobalt(2+) (PubChem CID 135472000) has the molecular formula C16H36CoN6O2+2 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine;N-[3-(2-amino-2-methylpropyl)iminobutan-2-ylidene]hydroxylamine;cobalt(2+).

Molecular Properties

Compound NameN-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine;N-[3-(2-amino-2-methylpropyl)iminobutan-2-ylidene]hydroxylamine;cobalt(2+)
PubChem CID135472000
Molecular FormulaC16H36CoN6O2+2
Molecular Weight403.44 g/mol
Exact Mass403.22
IUPAC NameN-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine;N-[3-(2-amino-2-methylpropyl)iminobutan-2-ylidene]hydroxylamine;cobalt(2+)
SMILESCC(=NO)/C(C)=N/CC(C)(C)N.CC(=NO)C(C)NCC(C)(C)N.[Co+2]
InChIInChI=1S/C8H19N3O.C8H17N3O.Co/c2*1-6(7(2)11-12)10-5-8(3,4)9;/h6,10,12H,5,9H2,1-4H3;12H,5,9H2,1-4H3;/q;;+2/b;10-6+,11-7?;
InChIKeyWNWPBZDWUKIUTK-QOERDDSPSA-N
XLogP1.58
TPSA141.61 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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

N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine
CID 6850066
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
(NE)-N-[3-[2-[[(3E)-3-hydroxyiminobutan-2-yl]amino]ethylamino]butan-2-ylidene]hydroxylamine
CID 15447622
(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
bis(N-[3-(2-aminoethylamino)butan-2-ylidene]hydroxylamine);cobalt(3+)
CID 6850067
N-[(3Z)-3-hydroxyiminobutan-2-yl]acetamide
CID 19164934
2-[(2-amino-2-methylpropyl)amino]-3-methylbutane-1,1-diol
CID 163829282
N-[3-[2,2-dimethyl-3-(3-nitrosobutan-2-ylamino)propyl]iminopentan-2-ylidene]hydroxylamine
CID 137029652
N'-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanimidamide
CID 77029950
2-[(2-amino-2-methylpropyl)amino]-3-hydroxybutanoic acid
CID 90020733
bis(N-[3-(3-aminopropylimino)butan-2-ylidene]hydroxylamine);cobalt(2+)
CID 135459891

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine;N-[3-(2-amino-2-methylpropyl)iminobutan-2-ylidene]hydroxylamine;cobalt(2+)?
The IUPAC name of 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) is N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine;N-[3-(2-amino-2-methylpropyl)iminobutan-2-ylidene]hydroxylamine;cobalt(2+).
What is the SMILES notation for N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine;N-[3-(2-amino-2-methylpropyl)iminobutan-2-ylidene]hydroxylamine;cobalt(2+)?
The canonical SMILES for N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine;N-[3-(2-amino-2-methylpropyl)iminobutan-2-ylidene]hydroxylamine;cobalt(2+) is CC(=NO)/C(C)=N/CC(C)(C)N.CC(=NO)C(C)NCC(C)(C)N.[Co+2].
What is the InChIKey of N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine;N-[3-(2-amino-2-methylpropyl)iminobutan-2-ylidene]hydroxylamine;cobalt(2+)?
The InChIKey is WNWPBZDWUKIUTK-QOERDDSPSA-N. The full InChI is InChI=1S/C8H19N3O.C8H17N3O.Co/c2*1-6(7(2)11-12)10-5-8(3,4)9;/h6,10,12H,5,9H2,1-4H3;12H,5,9H2,1-4H3;/q;;+2/b;10-6+,11-7?;.
What are the key properties of N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine;N-[3-(2-amino-2-methylpropyl)iminobutan-2-ylidene]hydroxylamine;cobalt(2+)?
N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine;N-[3-(2-amino-2-methylpropyl)iminobutan-2-ylidene]hydroxylamine;cobalt(2+) has a molecular weight of 403.44 g/mol, XLogP of 1.58, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine;N-[3-(2-amino-2-methylpropyl)iminobutan-2-ylidene]hydroxylamine;cobalt(2+) is sourced from PubChem (CID 135472000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).