N-[1-[1-(dimethylamino)-2H-pyridin-4-yl]ethylidene]hydroxylamine

C9H15N3O — CID 173427601

IUPACN-[1-[1-(dimethylamino)-2H-pyridin-4-yl]ethylidene]hydroxylamine
SMILESCC(=NO)C1=CCN(N(C)C)C=C1
InChIInChI=1S/C9H15N3O/c1-8(10-13)9-4-6-12(7-5-9)11(2)3/h4-6,13H,7H2,1-3H3
InChIKeyHABWEFKOYSBWNV-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.07
Rot. Bonds2

About N-[1-[1-(dimethylamino)-2H-pyridin-4-yl]ethylidene]hydroxylamine

N-[1-[1-(dimethylamino)-2H-pyridin-4-yl]ethylidene]hydroxylamine (PubChem CID 173427601) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[1-[1-(dimethylamino)-2H-pyridin-4-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[1-(dimethylamino)-2H-pyridin-4-yl]ethylidene]hydroxylamine
PubChem CID173427601
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-[1-[1-(dimethylamino)-2H-pyridin-4-yl]ethylidene]hydroxylamine
SMILESCC(=NO)C1=CCN(N(C)C)C=C1
InChIInChI=1S/C9H15N3O/c1-8(10-13)9-4-6-12(7-5-9)11(2)3/h4-6,13H,7H2,1-3H3
InChIKeyHABWEFKOYSBWNV-UHFFFAOYSA-N
XLogP1.07
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(dimethylamino)-2H-pyridin-4-yl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[1-(dimethylamino)-2H-pyridin-4-yl]ethylidene]hydroxylamine (CID 173427601) is N-[1-[1-(dimethylamino)-2H-pyridin-4-yl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[1-(dimethylamino)-2H-pyridin-4-yl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[1-(dimethylamino)-2H-pyridin-4-yl]ethylidene]hydroxylamine is CC(=NO)C1=CCN(N(C)C)C=C1.
What is the InChIKey of N-[1-[1-(dimethylamino)-2H-pyridin-4-yl]ethylidene]hydroxylamine?
The InChIKey is HABWEFKOYSBWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8(10-13)9-4-6-12(7-5-9)11(2)3/h4-6,13H,7H2,1-3H3.
What are the key properties of N-[1-[1-(dimethylamino)-2H-pyridin-4-yl]ethylidene]hydroxylamine?
N-[1-[1-(dimethylamino)-2H-pyridin-4-yl]ethylidene]hydroxylamine has a molecular weight of 181.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(dimethylamino)-2H-pyridin-4-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 173427601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).