N-[1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethylidene]hydroxylamine

C14H18N4O — CID 173179962

IUPACN-[1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethylidene]hydroxylamine
SMILESCCCn1ccnc1CC(=NO)c1ccc(N)cc1
InChIInChI=1S/C14H18N4O/c1-2-8-18-9-7-16-14(18)10-13(17-19)11-3-5-12(15)6-4-11/h3-7,9,19H,2,8,10,15H2,1H3
InChIKeyWWBLCTGIMABALZ-UHFFFAOYSA-N
MW258.33 g/mol
LogP2.30
Rot. Bonds5

About N-[1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethylidene]hydroxylamine

N-[1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethylidene]hydroxylamine (PubChem CID 173179962) has the molecular formula C14H18N4O and a molecular weight of 258.33 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethylidene]hydroxylamine
PubChem CID173179962
Molecular FormulaC14H18N4O
Molecular Weight258.33 g/mol
Exact Mass258.15
IUPAC NameN-[1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethylidene]hydroxylamine
SMILESCCCn1ccnc1CC(=NO)c1ccc(N)cc1
InChIInChI=1S/C14H18N4O/c1-2-8-18-9-7-16-14(18)10-13(17-19)11-3-5-12(15)6-4-11/h3-7,9,19H,2,8,10,15H2,1H3
InChIKeyWWBLCTGIMABALZ-UHFFFAOYSA-N
XLogP2.30
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 22938877
3-fluoro-4-[(1-propylimidazol-2-yl)methyl]aniline
CID 79737831
5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one
CID 116582877
3-[2-(1-propylimidazol-2-yl)ethyl]pyridin-2-amine
CID 79761561
4-[(1-butylimidazol-2-yl)methyl]aniline
CID 70226116
5-amino-5-phenyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116570854
3-amino-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116584036
5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one
CID 116571370
5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116594917
(4-aminophenyl)-(2-ethylimidazol-1-yl)methanone
CID 110462577
1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744738
3-(4-aminophenyl)-1-(1-propylimidazol-2-yl)propan-1-one
CID 116605540

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethylidene]hydroxylamine (CID 173179962) is N-[1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethylidene]hydroxylamine is CCCn1ccnc1CC(=NO)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethylidene]hydroxylamine?
The InChIKey is WWBLCTGIMABALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-8-18-9-7-16-14(18)10-13(17-19)11-3-5-12(15)6-4-11/h3-7,9,19H,2,8,10,15H2,1H3.
What are the key properties of N-[1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethylidene]hydroxylamine?
N-[1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethylidene]hydroxylamine has a molecular weight of 258.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 173179962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).