N-[4-(2-aminoethoxy)-3,3-dimethylbutan-2-ylidene]hydroxylamine

C8H18N2O2 — CID 142657532

IUPACN-[4-(2-aminoethoxy)-3,3-dimethylbutan-2-ylidene]hydroxylamine
SMILESCC(=NO)C(C)(C)COCCN
InChIInChI=1S/C8H18N2O2/c1-7(10-11)8(2,3)6-12-5-4-9/h11H,4-6,9H2,1-3H3
InChIKeyASGYTNDVRPBQSP-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.84
Rot. Bonds5

About N-[4-(2-aminoethoxy)-3,3-dimethylbutan-2-ylidene]hydroxylamine

N-[4-(2-aminoethoxy)-3,3-dimethylbutan-2-ylidene]hydroxylamine (PubChem CID 142657532) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)-3,3-dimethylbutan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[4-(2-aminoethoxy)-3,3-dimethylbutan-2-ylidene]hydroxylamine
PubChem CID142657532
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC NameN-[4-(2-aminoethoxy)-3,3-dimethylbutan-2-ylidene]hydroxylamine
SMILESCC(=NO)C(C)(C)COCCN
InChIInChI=1S/C8H18N2O2/c1-7(10-11)8(2,3)6-12-5-4-9/h11H,4-6,9H2,1-3H3
InChIKeyASGYTNDVRPBQSP-UHFFFAOYSA-N
XLogP0.84
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethoxy)-3,3-dimethylbutan-2-ylidene]hydroxylamine?
The IUPAC name of N-[4-(2-aminoethoxy)-3,3-dimethylbutan-2-ylidene]hydroxylamine (CID 142657532) is N-[4-(2-aminoethoxy)-3,3-dimethylbutan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[4-(2-aminoethoxy)-3,3-dimethylbutan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[4-(2-aminoethoxy)-3,3-dimethylbutan-2-ylidene]hydroxylamine is CC(=NO)C(C)(C)COCCN.
What is the InChIKey of N-[4-(2-aminoethoxy)-3,3-dimethylbutan-2-ylidene]hydroxylamine?
The InChIKey is ASGYTNDVRPBQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-7(10-11)8(2,3)6-12-5-4-9/h11H,4-6,9H2,1-3H3.
What are the key properties of N-[4-(2-aminoethoxy)-3,3-dimethylbutan-2-ylidene]hydroxylamine?
N-[4-(2-aminoethoxy)-3,3-dimethylbutan-2-ylidene]hydroxylamine has a molecular weight of 174.24 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethoxy)-3,3-dimethylbutan-2-ylidene]hydroxylamine is sourced from PubChem (CID 142657532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).