N-(1-pyridin-2-ylheptylidene)hydroxylamine

C12H18N2O — CID 658439

IUPACN-(1-pyridin-2-ylheptylidene)hydroxylamine
SMILESCCCCCCC(=NO)c1ccccn1
InChIInChI=1S/C12H18N2O/c1-2-3-4-5-9-12(14-15)11-8-6-7-10-13-11/h6-8,10,15H,2-5,9H2,1H3
InChIKeyIMBPTFHRKCPHPX-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.23
Rot. Bonds6

About N-(1-pyridin-2-ylheptylidene)hydroxylamine

N-(1-pyridin-2-ylheptylidene)hydroxylamine (PubChem CID 658439) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(1-pyridin-2-ylheptylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-pyridin-2-ylheptylidene)hydroxylamine
PubChem CID658439
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(1-pyridin-2-ylheptylidene)hydroxylamine
SMILESCCCCCCC(=NO)c1ccccn1
InChIInChI=1S/C12H18N2O/c1-2-3-4-5-9-12(14-15)11-8-6-7-10-13-11/h6-8,10,15H,2-5,9H2,1H3
InChIKeyIMBPTFHRKCPHPX-UHFFFAOYSA-N
XLogP3.23
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1-pyridin-2-ylundecylidene)hydroxylamine
CID 136790254
N-(4-amino-1-pyridin-2-ylbutylidene)hydroxylamine;hydrochloride
CID 2771629
1-pyridin-2-ylhexan-1-one
CID 556347
2-hept-1-en-2-ylpyridine
CID 67857415
(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
(2-decanoyloxy-1,2-dipyridin-2-ylethenyl) decanoate
CID 54192954
7-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]quinolin-8-ol
CID 136886731
N-butyl-1-pyridin-2-ylethanimine
CID 583773
4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135822572
4-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 136661885

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylheptylidene)hydroxylamine?
The IUPAC name of N-(1-pyridin-2-ylheptylidene)hydroxylamine (CID 658439) is N-(1-pyridin-2-ylheptylidene)hydroxylamine.
What is the SMILES notation for N-(1-pyridin-2-ylheptylidene)hydroxylamine?
The canonical SMILES for N-(1-pyridin-2-ylheptylidene)hydroxylamine is CCCCCCC(=NO)c1ccccn1.
What is the InChIKey of N-(1-pyridin-2-ylheptylidene)hydroxylamine?
The InChIKey is IMBPTFHRKCPHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-3-4-5-9-12(14-15)11-8-6-7-10-13-11/h6-8,10,15H,2-5,9H2,1H3.
What are the key properties of N-(1-pyridin-2-ylheptylidene)hydroxylamine?
N-(1-pyridin-2-ylheptylidene)hydroxylamine has a molecular weight of 206.29 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylheptylidene)hydroxylamine is sourced from PubChem (CID 658439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).