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

C14H30CoN6O2+2 — CID 135459891

IUPACbis(N-[3-(3-aminopropylimino)butan-2-ylidene]hydroxylamine);cobalt(2+)
SMILESCC(=NO)/C(C)=N/CCCN.CC(=NO)/C(C)=N/CCCN.[Co+2]
InChIInChI=1S/2C7H15N3O.Co/c2*1-6(7(2)10-11)9-5-3-4-8;/h2*11H,3-5,8H2,1-2H3;/q;;+2/b2*9-6+,10-7?;
InChIKeyWPXUPBGWESEDQQ-OKUAGALGSA-N
MW373.37 g/mol
LogP1.29
Rot. Bonds8

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

bis(N-[3-(3-aminopropylimino)butan-2-ylidene]hydroxylamine);cobalt(2+) (PubChem CID 135459891) has the molecular formula C14H30CoN6O2+2 and a molecular weight of 373.37 g/mol. Its IUPAC name is bis(N-[3-(3-aminopropylimino)butan-2-ylidene]hydroxylamine);cobalt(2+).

Molecular Properties

Compound Namebis(N-[3-(3-aminopropylimino)butan-2-ylidene]hydroxylamine);cobalt(2+)
PubChem CID135459891
Molecular FormulaC14H30CoN6O2+2
Molecular Weight373.37 g/mol
Exact Mass373.18
IUPAC Namebis(N-[3-(3-aminopropylimino)butan-2-ylidene]hydroxylamine);cobalt(2+)
SMILESCC(=NO)/C(C)=N/CCCN.CC(=NO)/C(C)=N/CCCN.[Co+2]
InChIInChI=1S/2C7H15N3O.Co/c2*1-6(7(2)10-11)9-5-3-4-8;/h2*11H,3-5,8H2,1-2H3;/q;;+2/b2*9-6+,10-7?;
InChIKeyWPXUPBGWESEDQQ-OKUAGALGSA-N
XLogP1.29
TPSA141.94 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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

(NZ)-N-[3-[2-[[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]ethylimino]butan-2-ylidene]hydroxylamine;iron(2+)
CID 135801394
(NE)-N-(3-pentyliminobutan-2-ylidene)hydroxylamine
CID 177494784
(NE)-N-[3-[2-[2-[[(3E)-3-hydroxyiminobutan-2-ylidene]amino]ethylamino]ethylimino]butan-2-ylidene]hydroxylamine
CID 177428528
4-(3-aminopropylimino)pentan-2-one
CID 91484277
ethanol;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine
CID 174673280
2-(3-aminopropyl)-1-[N'-(3-aminopropyl)carbamimidoyl]guanidine
CID 150669227
2-N,3-N-bis(3-methoxypropyl)butane-2,3-diimine
CID 11182393
2-(3-hydroxyiminobutan-2-ylideneamino)acetic acid
CID 135472003
1-amino-2-(3-aminopropyl)guanidine
CID 130567724
2-(4-aminobutyl)guanidine
CID 22560045
acetic acid;2-(22-aminodocosyl)guanidine
CID 172684363
(3-hydroxyimino-2-oxobutyl) acetate
CID 131227910

Frequently Asked Questions

What is the IUPAC name of bis(N-[3-(3-aminopropylimino)butan-2-ylidene]hydroxylamine);cobalt(2+)?
The IUPAC name of bis(N-[3-(3-aminopropylimino)butan-2-ylidene]hydroxylamine);cobalt(2+) (CID 135459891) is bis(N-[3-(3-aminopropylimino)butan-2-ylidene]hydroxylamine);cobalt(2+).
What is the SMILES notation for bis(N-[3-(3-aminopropylimino)butan-2-ylidene]hydroxylamine);cobalt(2+)?
The canonical SMILES for bis(N-[3-(3-aminopropylimino)butan-2-ylidene]hydroxylamine);cobalt(2+) is CC(=NO)/C(C)=N/CCCN.CC(=NO)/C(C)=N/CCCN.[Co+2].
What is the InChIKey of bis(N-[3-(3-aminopropylimino)butan-2-ylidene]hydroxylamine);cobalt(2+)?
The InChIKey is WPXUPBGWESEDQQ-OKUAGALGSA-N. The full InChI is InChI=1S/2C7H15N3O.Co/c2*1-6(7(2)10-11)9-5-3-4-8;/h2*11H,3-5,8H2,1-2H3;/q;;+2/b2*9-6+,10-7?;.
What are the key properties of bis(N-[3-(3-aminopropylimino)butan-2-ylidene]hydroxylamine);cobalt(2+)?
bis(N-[3-(3-aminopropylimino)butan-2-ylidene]hydroxylamine);cobalt(2+) has a molecular weight of 373.37 g/mol, XLogP of 1.29, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[3-(3-aminopropylimino)butan-2-ylidene]hydroxylamine);cobalt(2+) is sourced from PubChem (CID 135459891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).