O-[5-(3,3-dimethylbutylamino)hex-5-enyl]hydroxylamine

C12H26N2O — CID 134403239

IUPACO-[5-(3,3-dimethylbutylamino)hex-5-enyl]hydroxylamine
SMILESC=C(CCCCON)NCCC(C)(C)C
InChIInChI=1S/C12H26N2O/c1-11(7-5-6-10-15-13)14-9-8-12(2,3)4/h14H,1,5-10,13H2,2-4H3
InChIKeyDQXUYBAAKOPBNJ-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.59
Rot. Bonds8

About O-[5-(3,3-dimethylbutylamino)hex-5-enyl]hydroxylamine

O-[5-(3,3-dimethylbutylamino)hex-5-enyl]hydroxylamine (PubChem CID 134403239) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is O-[5-(3,3-dimethylbutylamino)hex-5-enyl]hydroxylamine.

Molecular Properties

Compound NameO-[5-(3,3-dimethylbutylamino)hex-5-enyl]hydroxylamine
PubChem CID134403239
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameO-[5-(3,3-dimethylbutylamino)hex-5-enyl]hydroxylamine
SMILESC=C(CCCCON)NCCC(C)(C)C
InChIInChI=1S/C12H26N2O/c1-11(7-5-6-10-15-13)14-9-8-12(2,3)4/h14H,1,5-10,13H2,2-4H3
InChIKeyDQXUYBAAKOPBNJ-UHFFFAOYSA-N
XLogP2.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 O-[5-(3,3-dimethylbutylamino)hex-5-enyl]hydroxylamine?
The IUPAC name of O-[5-(3,3-dimethylbutylamino)hex-5-enyl]hydroxylamine (CID 134403239) is O-[5-(3,3-dimethylbutylamino)hex-5-enyl]hydroxylamine.
What is the SMILES notation for O-[5-(3,3-dimethylbutylamino)hex-5-enyl]hydroxylamine?
The canonical SMILES for O-[5-(3,3-dimethylbutylamino)hex-5-enyl]hydroxylamine is C=C(CCCCON)NCCC(C)(C)C.
What is the InChIKey of O-[5-(3,3-dimethylbutylamino)hex-5-enyl]hydroxylamine?
The InChIKey is DQXUYBAAKOPBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(7-5-6-10-15-13)14-9-8-12(2,3)4/h14H,1,5-10,13H2,2-4H3.
What are the key properties of O-[5-(3,3-dimethylbutylamino)hex-5-enyl]hydroxylamine?
O-[5-(3,3-dimethylbutylamino)hex-5-enyl]hydroxylamine has a molecular weight of 214.35 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[5-(3,3-dimethylbutylamino)hex-5-enyl]hydroxylamine is sourced from PubChem (CID 134403239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).