bis(N-[3-(2-aminoethylamino)butan-2-ylidene]hydroxylamine);cobalt(3+)

C12H30CoN6O2+3 — CID 6850067

IUPACbis(N-[3-(2-aminoethylamino)butan-2-ylidene]hydroxylamine);cobalt(3+)
SMILESCC(=NO)C(C)NCCN.CC(=NO)C(C)NCCN.[Co+3]
InChIInChI=1S/2C6H15N3O.Co/c2*1-5(6(2)9-10)8-4-3-7;/h2*5,8,10H,3-4,7H2,1-2H3;/q;;+3
InChIKeyCQVHFWWQHKCYSN-UHFFFAOYSA-N
MW349.35 g/mol
LogP-0.46
Rot. Bonds8

About bis(N-[3-(2-aminoethylamino)butan-2-ylidene]hydroxylamine);cobalt(3+)

bis(N-[3-(2-aminoethylamino)butan-2-ylidene]hydroxylamine);cobalt(3+) (PubChem CID 6850067) has the molecular formula C12H30CoN6O2+3 and a molecular weight of 349.35 g/mol. Its IUPAC name is bis(N-[3-(2-aminoethylamino)butan-2-ylidene]hydroxylamine);cobalt(3+).

Molecular Properties

Compound Namebis(N-[3-(2-aminoethylamino)butan-2-ylidene]hydroxylamine);cobalt(3+)
PubChem CID6850067
Molecular FormulaC12H30CoN6O2+3
Molecular Weight349.35 g/mol
Exact Mass349.17
IUPAC Namebis(N-[3-(2-aminoethylamino)butan-2-ylidene]hydroxylamine);cobalt(3+)
SMILESCC(=NO)C(C)NCCN.CC(=NO)C(C)NCCN.[Co+3]
InChIInChI=1S/2C6H15N3O.Co/c2*1-5(6(2)9-10)8-4-3-7;/h2*5,8,10H,3-4,7H2,1-2H3;/q;;+3
InChIKeyCQVHFWWQHKCYSN-UHFFFAOYSA-N
XLogP-0.46
TPSA141.28 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.35
LogP ≤ 5-0.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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'}

Analyze bis(N-[3-(2-aminoethylamino)butan-2-ylidene]hydroxylamine);cobalt(3+) 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-[3-[2-[[(3E)-3-hydroxyiminobutan-2-yl]amino]ethylamino]butan-2-ylidene]hydroxylamine
CID 15447622
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine
CID 6850066
2-(2-aminoethylamino)propanamide
CID 20551229
(1S)-1-(2-aminoethylamino)propane-1,2-diol
CID 174340502
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
tert-butyl 2-(2-aminoethylamino)propanoate
CID 66338502
N'-(1-iodoethyl)ethane-1,2-diamine
CID 89021038
(NE)-N-[1-[[3-[[(2S,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]propan-2-ylidene]hydroxylamine
CID 118409020
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
(2S)-2-(4-aminobutylamino)propanoic acid
CID 45082347
(NZ)-N-[2-[2-[[(3Z)-3-hydroxyiminopentan-2-yl]amino]ethylamino]pentan-3-ylidene]hydroxylamine
CID 101001650

Frequently Asked Questions

What is the IUPAC name of bis(N-[3-(2-aminoethylamino)butan-2-ylidene]hydroxylamine);cobalt(3+)?
The IUPAC name of bis(N-[3-(2-aminoethylamino)butan-2-ylidene]hydroxylamine);cobalt(3+) (CID 6850067) is bis(N-[3-(2-aminoethylamino)butan-2-ylidene]hydroxylamine);cobalt(3+).
What is the SMILES notation for bis(N-[3-(2-aminoethylamino)butan-2-ylidene]hydroxylamine);cobalt(3+)?
The canonical SMILES for bis(N-[3-(2-aminoethylamino)butan-2-ylidene]hydroxylamine);cobalt(3+) is CC(=NO)C(C)NCCN.CC(=NO)C(C)NCCN.[Co+3].
What is the InChIKey of bis(N-[3-(2-aminoethylamino)butan-2-ylidene]hydroxylamine);cobalt(3+)?
The InChIKey is CQVHFWWQHKCYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15N3O.Co/c2*1-5(6(2)9-10)8-4-3-7;/h2*5,8,10H,3-4,7H2,1-2H3;/q;;+3.
What are the key properties of bis(N-[3-(2-aminoethylamino)butan-2-ylidene]hydroxylamine);cobalt(3+)?
bis(N-[3-(2-aminoethylamino)butan-2-ylidene]hydroxylamine);cobalt(3+) has a molecular weight of 349.35 g/mol, XLogP of -0.46, 8 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[3-(2-aminoethylamino)butan-2-ylidene]hydroxylamine);cobalt(3+) is sourced from PubChem (CID 6850067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).