N-[2-(dimethylamino)-1-phenylbutylidene]hydroxylamine;N-[2-(dimethylamino)-1-phenylpentylidene]hydroxylamine

C25H38N4O2 — CID 162253710

IUPACN-[2-(dimethylamino)-1-phenylbutylidene]hydroxylamine;N-[2-(dimethylamino)-1-phenylpentylidene]hydroxylamine
SMILESCCC(C(=NO)c1ccccc1)N(C)C.CCCC(C(=NO)c1ccccc1)N(C)C
InChIInChI=1S/C13H20N2O.C12H18N2O/c1-4-8-12(15(2)3)13(14-16)11-9-6-5-7-10-11;1-4-11(14(2)3)12(13-15)10-8-6-5-7-9-10/h5-7,9-10,12,16H,4,8H2,1-3H3;5-9,11,15H,4H2,1-3H3
InChIKeyZYHZMTQNEZQUDL-UHFFFAOYSA-N
MW426.61 g/mol
LogP4.80
Rot. Bonds9

About N-[2-(dimethylamino)-1-phenylbutylidene]hydroxylamine;N-[2-(dimethylamino)-1-phenylpentylidene]hydroxylamine

N-[2-(dimethylamino)-1-phenylbutylidene]hydroxylamine;N-[2-(dimethylamino)-1-phenylpentylidene]hydroxylamine (PubChem CID 162253710) has the molecular formula C25H38N4O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is N-[2-(dimethylamino)-1-phenylbutylidene]hydroxylamine;N-[2-(dimethylamino)-1-phenylpentylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(dimethylamino)-1-phenylbutylidene]hydroxylamine;N-[2-(dimethylamino)-1-phenylpentylidene]hydroxylamine
PubChem CID162253710
Molecular FormulaC25H38N4O2
Molecular Weight426.61 g/mol
Exact Mass426.30
IUPAC NameN-[2-(dimethylamino)-1-phenylbutylidene]hydroxylamine;N-[2-(dimethylamino)-1-phenylpentylidene]hydroxylamine
SMILESCCC(C(=NO)c1ccccc1)N(C)C.CCCC(C(=NO)c1ccccc1)N(C)C
InChIInChI=1S/C13H20N2O.C12H18N2O/c1-4-8-12(15(2)3)13(14-16)11-9-6-5-7-10-11;1-4-11(14(2)3)12(13-15)10-8-6-5-7-9-10/h5-7,9-10,12,16H,4,8H2,1-3H3;5-9,11,15H,4H2,1-3H3
InChIKeyZYHZMTQNEZQUDL-UHFFFAOYSA-N
XLogP4.80
TPSA71.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-(dimethylamino)-1-phenylbutylidene]hydroxylamine;N-[2-(dimethylamino)-1-phenylpentylidene]hydroxylamine?
The IUPAC name of N-[2-(dimethylamino)-1-phenylbutylidene]hydroxylamine;N-[2-(dimethylamino)-1-phenylpentylidene]hydroxylamine (CID 162253710) is N-[2-(dimethylamino)-1-phenylbutylidene]hydroxylamine;N-[2-(dimethylamino)-1-phenylpentylidene]hydroxylamine.
What is the SMILES notation for N-[2-(dimethylamino)-1-phenylbutylidene]hydroxylamine;N-[2-(dimethylamino)-1-phenylpentylidene]hydroxylamine?
The canonical SMILES for N-[2-(dimethylamino)-1-phenylbutylidene]hydroxylamine;N-[2-(dimethylamino)-1-phenylpentylidene]hydroxylamine is CCC(C(=NO)c1ccccc1)N(C)C.CCCC(C(=NO)c1ccccc1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-1-phenylbutylidene]hydroxylamine;N-[2-(dimethylamino)-1-phenylpentylidene]hydroxylamine?
The InChIKey is ZYHZMTQNEZQUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.C12H18N2O/c1-4-8-12(15(2)3)13(14-16)11-9-6-5-7-10-11;1-4-11(14(2)3)12(13-15)10-8-6-5-7-9-10/h5-7,9-10,12,16H,4,8H2,1-3H3;5-9,11,15H,4H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-1-phenylbutylidene]hydroxylamine;N-[2-(dimethylamino)-1-phenylpentylidene]hydroxylamine?
N-[2-(dimethylamino)-1-phenylbutylidene]hydroxylamine;N-[2-(dimethylamino)-1-phenylpentylidene]hydroxylamine has a molecular weight of 426.61 g/mol, XLogP of 4.80, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-1-phenylbutylidene]hydroxylamine;N-[2-(dimethylamino)-1-phenylpentylidene]hydroxylamine is sourced from PubChem (CID 162253710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).