O-[N-butan-2-yl-4-(butan-2-ylamino)anilino]hydroxylamine

C14H25N3O — CID 21339527

IUPACO-[N-butan-2-yl-4-(butan-2-ylamino)anilino]hydroxylamine
SMILESCCC(C)Nc1ccc(N(ON)C(C)CC)cc1
InChIInChI=1S/C14H25N3O/c1-5-11(3)16-13-7-9-14(10-8-13)17(18-15)12(4)6-2/h7-12,16H,5-6,15H2,1-4H3
InChIKeyBKBMRHVOERQBFF-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.31
Rot. Bonds7

About O-[N-butan-2-yl-4-(butan-2-ylamino)anilino]hydroxylamine

O-[N-butan-2-yl-4-(butan-2-ylamino)anilino]hydroxylamine (PubChem CID 21339527) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is O-[N-butan-2-yl-4-(butan-2-ylamino)anilino]hydroxylamine.

Molecular Properties

Compound NameO-[N-butan-2-yl-4-(butan-2-ylamino)anilino]hydroxylamine
PubChem CID21339527
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameO-[N-butan-2-yl-4-(butan-2-ylamino)anilino]hydroxylamine
SMILESCCC(C)Nc1ccc(N(ON)C(C)CC)cc1
InChIInChI=1S/C14H25N3O/c1-5-11(3)16-13-7-9-14(10-8-13)17(18-15)12(4)6-2/h7-12,16H,5-6,15H2,1-4H3
InChIKeyBKBMRHVOERQBFF-UHFFFAOYSA-N
XLogP3.31
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[N-butan-2-yl-4-(butan-2-ylamino)anilino]hydroxylamine?
The IUPAC name of O-[N-butan-2-yl-4-(butan-2-ylamino)anilino]hydroxylamine (CID 21339527) is O-[N-butan-2-yl-4-(butan-2-ylamino)anilino]hydroxylamine.
What is the SMILES notation for O-[N-butan-2-yl-4-(butan-2-ylamino)anilino]hydroxylamine?
The canonical SMILES for O-[N-butan-2-yl-4-(butan-2-ylamino)anilino]hydroxylamine is CCC(C)Nc1ccc(N(ON)C(C)CC)cc1.
What is the InChIKey of O-[N-butan-2-yl-4-(butan-2-ylamino)anilino]hydroxylamine?
The InChIKey is BKBMRHVOERQBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-11(3)16-13-7-9-14(10-8-13)17(18-15)12(4)6-2/h7-12,16H,5-6,15H2,1-4H3.
What are the key properties of O-[N-butan-2-yl-4-(butan-2-ylamino)anilino]hydroxylamine?
O-[N-butan-2-yl-4-(butan-2-ylamino)anilino]hydroxylamine has a molecular weight of 251.37 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[N-butan-2-yl-4-(butan-2-ylamino)anilino]hydroxylamine is sourced from PubChem (CID 21339527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).