(Z)-[2-(butan-2-ylamino)ethyl-(1-hydroxybutan-2-yl)amino]-hydroxy-hydroxyiminoazanium

C10H25N4O3+ — CID 135407792

IUPAC(Z)-[2-(butan-2-ylamino)ethyl-(1-hydroxybutan-2-yl)amino]-hydroxy-hydroxyiminoazanium
SMILESCCC(C)NCCN(C(CC)CO)/[N+](O)=N/O
InChIInChI=1S/C10H24N4O3/c1-4-9(3)11-6-7-13(14(17)12-16)10(5-2)8-15/h9-11,15,17H,4-8H2,1-3H3/p+1
InChIKeyOCMQAJBYODSLMY-UHFFFAOYSA-O
MW249.33 g/mol
LogP0.61
Rot. Bonds9

About (Z)-[2-(butan-2-ylamino)ethyl-(1-hydroxybutan-2-yl)amino]-hydroxy-hydroxyiminoazanium

(Z)-[2-(butan-2-ylamino)ethyl-(1-hydroxybutan-2-yl)amino]-hydroxy-hydroxyiminoazanium (PubChem CID 135407792) has the molecular formula C10H25N4O3+ and a molecular weight of 249.33 g/mol. Its IUPAC name is (Z)-[2-(butan-2-ylamino)ethyl-(1-hydroxybutan-2-yl)amino]-hydroxy-hydroxyiminoazanium.

Molecular Properties

Compound Name(Z)-[2-(butan-2-ylamino)ethyl-(1-hydroxybutan-2-yl)amino]-hydroxy-hydroxyiminoazanium
PubChem CID135407792
Molecular FormulaC10H25N4O3+
Molecular Weight249.33 g/mol
Exact Mass249.19
IUPAC Name(Z)-[2-(butan-2-ylamino)ethyl-(1-hydroxybutan-2-yl)amino]-hydroxy-hydroxyiminoazanium
SMILESCCC(C)NCCN(C(CC)CO)/[N+](O)=N/O
InChIInChI=1S/C10H24N4O3/c1-4-9(3)11-6-7-13(14(17)12-16)10(5-2)8-15/h9-11,15,17H,4-8H2,1-3H3/p+1
InChIKeyOCMQAJBYODSLMY-UHFFFAOYSA-O
XLogP0.61
TPSA91.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(butan-2-ylamino)ethyl-(2-hydroxyethyl)amino]ethanol
CID 130198825
N,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine
CID 60852501
N-butan-2-yl-N',N'-dipropylethane-1,2-diamine
CID 54809596
(butan-2-ylamino)methanol;ethane
CID 143420847
N-butan-2-yl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 61418838
(2S)-4-(butan-2-ylamino)butan-2-ol
CID 130638354
(2S)-3-(butan-2-ylamino)propane-1,2-diol
CID 61149708
N-butan-2-yl-N'-cyclopropyl-N'-propylethane-1,2-diamine
CID 60852498
5-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026529
tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate
CID 115716335
(2H)iodane;N-propylbutan-2-amine
CID 160782338
N'-butan-2-ylethane-1,2-diamine;ethane
CID 142992990

Frequently Asked Questions

What is the IUPAC name of (Z)-[2-(butan-2-ylamino)ethyl-(1-hydroxybutan-2-yl)amino]-hydroxy-hydroxyiminoazanium?
The IUPAC name of (Z)-[2-(butan-2-ylamino)ethyl-(1-hydroxybutan-2-yl)amino]-hydroxy-hydroxyiminoazanium (CID 135407792) is (Z)-[2-(butan-2-ylamino)ethyl-(1-hydroxybutan-2-yl)amino]-hydroxy-hydroxyiminoazanium.
What is the SMILES notation for (Z)-[2-(butan-2-ylamino)ethyl-(1-hydroxybutan-2-yl)amino]-hydroxy-hydroxyiminoazanium?
The canonical SMILES for (Z)-[2-(butan-2-ylamino)ethyl-(1-hydroxybutan-2-yl)amino]-hydroxy-hydroxyiminoazanium is CCC(C)NCCN(C(CC)CO)/[N+](O)=N/O.
What is the InChIKey of (Z)-[2-(butan-2-ylamino)ethyl-(1-hydroxybutan-2-yl)amino]-hydroxy-hydroxyiminoazanium?
The InChIKey is OCMQAJBYODSLMY-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H24N4O3/c1-4-9(3)11-6-7-13(14(17)12-16)10(5-2)8-15/h9-11,15,17H,4-8H2,1-3H3/p+1.
What are the key properties of (Z)-[2-(butan-2-ylamino)ethyl-(1-hydroxybutan-2-yl)amino]-hydroxy-hydroxyiminoazanium?
(Z)-[2-(butan-2-ylamino)ethyl-(1-hydroxybutan-2-yl)amino]-hydroxy-hydroxyiminoazanium has a molecular weight of 249.33 g/mol, XLogP of 0.61, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[2-(butan-2-ylamino)ethyl-(1-hydroxybutan-2-yl)amino]-hydroxy-hydroxyiminoazanium is sourced from PubChem (CID 135407792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).