(NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine

C14H22N2O2 — CID 24707329

IUPAC(NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine
SMILESC/C(CCc1ccc(OCCN(C)C)cc1)=N\O
InChIInChI=1S/C14H22N2O2/c1-12(15-17)4-5-13-6-8-14(9-7-13)18-11-10-16(2)3/h6-9,17H,4-5,10-11H2,1-3H3/b15-12+
InChIKeyFBXKIDATDYTUEC-NTCAYCPXSA-N
MW250.34 g/mol
LogP2.41
Rot. Bonds7

About (NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine

(NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine (PubChem CID 24707329) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine
PubChem CID24707329
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine
SMILESC/C(CCc1ccc(OCCN(C)C)cc1)=N\O
InChIInChI=1S/C14H22N2O2/c1-12(15-17)4-5-13-6-8-14(9-7-13)18-11-10-16(2)3/h6-9,17H,4-5,10-11H2,1-3H3/b15-12+
InChIKeyFBXKIDATDYTUEC-NTCAYCPXSA-N
XLogP2.41
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.41
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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Related Compounds

4-[4-(3-hydroxyiminobutyl)phenoxy]butan-1-ol
CID 76917502
(NE)-N-[4-[4-(3-methoxypropoxy)phenyl]butan-2-ylidene]hydroxylamine
CID 54936027
(NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine
CID 83159110
2-[4-[2-(dimethylamino)ethoxy]phenyl]ethanol
CID 83390498
3-[4-(3-hydroxyiminobutyl)phenoxy]-N-propan-2-ylpropanamide
CID 76947263
2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715461
N-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-ylidene]hydroxylamine
CID 76905275
N-ethyl-2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-methylacetamide
CID 43309750
4-[4-(3-hydroxyiminobutyl)phenoxy]-2,2-dimethylbutanenitrile
CID 77062862
(NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine
CID 21296282
3-[4-[3-(dimethylamino)propoxy]phenyl]propanoic acid
CID 20986252
1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-one;hydrochloride
CID 3079549

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine (CID 24707329) is (NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine is C/C(CCc1ccc(OCCN(C)C)cc1)=N\O.
What is the InChIKey of (NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine?
The InChIKey is FBXKIDATDYTUEC-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12(15-17)4-5-13-6-8-14(9-7-13)18-11-10-16(2)3/h6-9,17H,4-5,10-11H2,1-3H3/b15-12+.
What are the key properties of (NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine?
(NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine has a molecular weight of 250.34 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 24707329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).