N-(4-amino-1-pyridin-2-ylbutylidene)hydroxylamine;hydrochloride

C9H14ClN3O — CID 2771629

IUPACN-(4-amino-1-pyridin-2-ylbutylidene)hydroxylamine;hydrochloride
SMILESCl.NCCCC(=NO)c1ccccn1
InChIInChI=1S/C9H13N3O.ClH/c10-6-3-5-9(12-13)8-4-1-2-7-11-8;/h1-2,4,7,13H,3,5-6,10H2;1H
InChIKeySSOXNHMQXXYQKV-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.42
Rot. Bonds4

About N-(4-amino-1-pyridin-2-ylbutylidene)hydroxylamine;hydrochloride

N-(4-amino-1-pyridin-2-ylbutylidene)hydroxylamine;hydrochloride (PubChem CID 2771629) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is N-(4-amino-1-pyridin-2-ylbutylidene)hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-(4-amino-1-pyridin-2-ylbutylidene)hydroxylamine;hydrochloride
PubChem CID2771629
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC NameN-(4-amino-1-pyridin-2-ylbutylidene)hydroxylamine;hydrochloride
SMILESCl.NCCCC(=NO)c1ccccn1
InChIInChI=1S/C9H13N3O.ClH/c10-6-3-5-9(12-13)8-4-1-2-7-11-8;/h1-2,4,7,13H,3,5-6,10H2;1H
InChIKeySSOXNHMQXXYQKV-UHFFFAOYSA-N
XLogP1.42
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.42
H-Bond Donors ≤ 52
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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Related Compounds

(NZ)-N-(1-pyridin-2-ylundecylidene)hydroxylamine
CID 136790254
N-(1-pyridin-2-ylheptylidene)hydroxylamine
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3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500
(NZ)-N-[3-amino-1-(5-phenyl-2-pyridinyl)propylidene]hydroxylamine
CID 141397884
pyridine-2-carbothioamide;hydrochloride
CID 57440257
(2Z)-2-hydroxyimino-2-pyridin-2-ylacetamide
CID 140560701
(6E)-6-[(2-fluorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 7596836
N'-aminopyridine-2-carboximidamide
CID 5464234
(NE)-N-[4-methyl-1-(6-pyridin-2-yl-2-pyridinyl)pentylidene]hydroxylamine
CID 137283183
(NZ)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
CID 135427108
(6Z)-6-[(4-iodophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 40901437
N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
CID 11530463

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-pyridin-2-ylbutylidene)hydroxylamine;hydrochloride?
The IUPAC name of N-(4-amino-1-pyridin-2-ylbutylidene)hydroxylamine;hydrochloride (CID 2771629) is N-(4-amino-1-pyridin-2-ylbutylidene)hydroxylamine;hydrochloride.
What is the SMILES notation for N-(4-amino-1-pyridin-2-ylbutylidene)hydroxylamine;hydrochloride?
The canonical SMILES for N-(4-amino-1-pyridin-2-ylbutylidene)hydroxylamine;hydrochloride is Cl.NCCCC(=NO)c1ccccn1.
What is the InChIKey of N-(4-amino-1-pyridin-2-ylbutylidene)hydroxylamine;hydrochloride?
The InChIKey is SSOXNHMQXXYQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.ClH/c10-6-3-5-9(12-13)8-4-1-2-7-11-8;/h1-2,4,7,13H,3,5-6,10H2;1H.
What are the key properties of N-(4-amino-1-pyridin-2-ylbutylidene)hydroxylamine;hydrochloride?
N-(4-amino-1-pyridin-2-ylbutylidene)hydroxylamine;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-pyridin-2-ylbutylidene)hydroxylamine;hydrochloride is sourced from PubChem (CID 2771629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).