N-[5-amino-2-[2-(dimethylamino)ethyl-methylamino]-6-propan-2-yloxy-3-pyridinyl]hydroxylamine

C13H25N5O2 — CID 174193609

IUPACN-[5-amino-2-[2-(dimethylamino)ethyl-methylamino]-6-propan-2-yloxy-3-pyridinyl]hydroxylamine
SMILESCC(C)Oc1nc(N(C)CCN(C)C)c(NO)cc1N
InChIInChI=1S/C13H25N5O2/c1-9(2)20-13-10(14)8-11(16-19)12(15-13)18(5)7-6-17(3)4/h8-9,16,19H,6-7,14H2,1-5H3
InChIKeyFPRXMYLEYANMBB-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.25
Rot. Bonds7

About N-[5-amino-2-[2-(dimethylamino)ethyl-methylamino]-6-propan-2-yloxy-3-pyridinyl]hydroxylamine

N-[5-amino-2-[2-(dimethylamino)ethyl-methylamino]-6-propan-2-yloxy-3-pyridinyl]hydroxylamine (PubChem CID 174193609) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[5-amino-2-[2-(dimethylamino)ethyl-methylamino]-6-propan-2-yloxy-3-pyridinyl]hydroxylamine.

Molecular Properties

Compound NameN-[5-amino-2-[2-(dimethylamino)ethyl-methylamino]-6-propan-2-yloxy-3-pyridinyl]hydroxylamine
PubChem CID174193609
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC NameN-[5-amino-2-[2-(dimethylamino)ethyl-methylamino]-6-propan-2-yloxy-3-pyridinyl]hydroxylamine
SMILESCC(C)Oc1nc(N(C)CCN(C)C)c(NO)cc1N
InChIInChI=1S/C13H25N5O2/c1-9(2)20-13-10(14)8-11(16-19)12(15-13)18(5)7-6-17(3)4/h8-9,16,19H,6-7,14H2,1-5H3
InChIKeyFPRXMYLEYANMBB-UHFFFAOYSA-N
XLogP1.25
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-[2-(dimethylamino)ethyl-methylamino]-6-propan-2-yloxy-3-pyridinyl]hydroxylamine?
The IUPAC name of N-[5-amino-2-[2-(dimethylamino)ethyl-methylamino]-6-propan-2-yloxy-3-pyridinyl]hydroxylamine (CID 174193609) is N-[5-amino-2-[2-(dimethylamino)ethyl-methylamino]-6-propan-2-yloxy-3-pyridinyl]hydroxylamine.
What is the SMILES notation for N-[5-amino-2-[2-(dimethylamino)ethyl-methylamino]-6-propan-2-yloxy-3-pyridinyl]hydroxylamine?
The canonical SMILES for N-[5-amino-2-[2-(dimethylamino)ethyl-methylamino]-6-propan-2-yloxy-3-pyridinyl]hydroxylamine is CC(C)Oc1nc(N(C)CCN(C)C)c(NO)cc1N.
What is the InChIKey of N-[5-amino-2-[2-(dimethylamino)ethyl-methylamino]-6-propan-2-yloxy-3-pyridinyl]hydroxylamine?
The InChIKey is FPRXMYLEYANMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-9(2)20-13-10(14)8-11(16-19)12(15-13)18(5)7-6-17(3)4/h8-9,16,19H,6-7,14H2,1-5H3.
What are the key properties of N-[5-amino-2-[2-(dimethylamino)ethyl-methylamino]-6-propan-2-yloxy-3-pyridinyl]hydroxylamine?
N-[5-amino-2-[2-(dimethylamino)ethyl-methylamino]-6-propan-2-yloxy-3-pyridinyl]hydroxylamine has a molecular weight of 283.38 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-[2-(dimethylamino)ethyl-methylamino]-6-propan-2-yloxy-3-pyridinyl]hydroxylamine is sourced from PubChem (CID 174193609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).