N-[2-[3-(3-hydroxyiminopentan-2-ylamino)propylamino]pentan-3-ylidene]hydroxylamine

C13H28N4O2 — CID 165355226

IUPACN-[2-[3-(3-hydroxyiminopentan-2-ylamino)propylamino]pentan-3-ylidene]hydroxylamine
SMILESCCC(=NO)C(C)NCCCNC(C)C(CC)=NO
InChIInChI=1S/C13H28N4O2/c1-5-12(16-18)10(3)14-8-7-9-15-11(4)13(6-2)17-19/h10-11,14-15,18-19H,5-9H2,1-4H3
InChIKeyUSFLOWRDVZLWAI-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.81
Rot. Bonds10

About N-[2-[3-(3-hydroxyiminopentan-2-ylamino)propylamino]pentan-3-ylidene]hydroxylamine

N-[2-[3-(3-hydroxyiminopentan-2-ylamino)propylamino]pentan-3-ylidene]hydroxylamine (PubChem CID 165355226) has the molecular formula C13H28N4O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[2-[3-(3-hydroxyiminopentan-2-ylamino)propylamino]pentan-3-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-[3-(3-hydroxyiminopentan-2-ylamino)propylamino]pentan-3-ylidene]hydroxylamine
PubChem CID165355226
Molecular FormulaC13H28N4O2
Molecular Weight272.39 g/mol
Exact Mass272.22
IUPAC NameN-[2-[3-(3-hydroxyiminopentan-2-ylamino)propylamino]pentan-3-ylidene]hydroxylamine
SMILESCCC(=NO)C(C)NCCCNC(C)C(CC)=NO
InChIInChI=1S/C13H28N4O2/c1-5-12(16-18)10(3)14-8-7-9-15-11(4)13(6-2)17-19/h10-11,14-15,18-19H,5-9H2,1-4H3
InChIKeyUSFLOWRDVZLWAI-UHFFFAOYSA-N
XLogP1.81
TPSA89.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.81
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

(NZ)-N-[2-[2-[[(3Z)-3-hydroxyiminopentan-2-yl]amino]ethylamino]pentan-3-ylidene]hydroxylamine
CID 101001650
N'-hydroxy-2-(octylamino)propanimidamide
CID 115568476
(NE)-N-[3-[2-[[(3E)-3-hydroxyiminobutan-2-yl]amino]ethylamino]butan-2-ylidene]hydroxylamine
CID 15447622
N'-hydroxy-2-(4-hydroxybutylamino)propanimidamide
CID 106842319
(NE)-N-[1-(4-aminobutylamino)-2-methylpentan-3-ylidene]hydroxylamine
CID 139833638
2-methyl-4-[3-[(4-methyl-3-oxopentan-2-yl)amino]propylamino]pentan-3-one
CID 57072126
(4E)-4-hydroxyiminohexan-3-ol
CID 22415949
N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide
CID 106161760
3-(butylamino)butane-2-thione
CID 123548985
(NZ)-N-(2-nitropentan-3-ylidene)hydroxylamine
CID 21313717
N'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
CID 106034085
2-(3-ethoxypropylamino)-N,N-dimethylpropanamide
CID 43086240

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-hydroxyiminopentan-2-ylamino)propylamino]pentan-3-ylidene]hydroxylamine?
The IUPAC name of N-[2-[3-(3-hydroxyiminopentan-2-ylamino)propylamino]pentan-3-ylidene]hydroxylamine (CID 165355226) is N-[2-[3-(3-hydroxyiminopentan-2-ylamino)propylamino]pentan-3-ylidene]hydroxylamine.
What is the SMILES notation for N-[2-[3-(3-hydroxyiminopentan-2-ylamino)propylamino]pentan-3-ylidene]hydroxylamine?
The canonical SMILES for N-[2-[3-(3-hydroxyiminopentan-2-ylamino)propylamino]pentan-3-ylidene]hydroxylamine is CCC(=NO)C(C)NCCCNC(C)C(CC)=NO.
What is the InChIKey of N-[2-[3-(3-hydroxyiminopentan-2-ylamino)propylamino]pentan-3-ylidene]hydroxylamine?
The InChIKey is USFLOWRDVZLWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2/c1-5-12(16-18)10(3)14-8-7-9-15-11(4)13(6-2)17-19/h10-11,14-15,18-19H,5-9H2,1-4H3.
What are the key properties of N-[2-[3-(3-hydroxyiminopentan-2-ylamino)propylamino]pentan-3-ylidene]hydroxylamine?
N-[2-[3-(3-hydroxyiminopentan-2-ylamino)propylamino]pentan-3-ylidene]hydroxylamine has a molecular weight of 272.39 g/mol, XLogP of 1.81, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-hydroxyiminopentan-2-ylamino)propylamino]pentan-3-ylidene]hydroxylamine is sourced from PubChem (CID 165355226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).