(NE)-N-(3-methoxy-3-methylpentan-2-ylidene)hydroxylamine

C7H15NO2 — CID 10606878

IUPAC(NE)-N-(3-methoxy-3-methylpentan-2-ylidene)hydroxylamine
SMILESCCC(C)(OC)/C(C)=N/O
InChIInChI=1S/C7H15NO2/c1-5-7(3,10-4)6(2)8-9/h9H,5H2,1-4H3/b8-6+
InChIKeyHHEXPZWWTDUHOW-SOFGYWHQSA-N
MW145.20 g/mol
LogP1.65
Rot. Bonds3

About (NE)-N-(3-methoxy-3-methylpentan-2-ylidene)hydroxylamine

(NE)-N-(3-methoxy-3-methylpentan-2-ylidene)hydroxylamine (PubChem CID 10606878) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (NE)-N-(3-methoxy-3-methylpentan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3-methoxy-3-methylpentan-2-ylidene)hydroxylamine
PubChem CID10606878
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(NE)-N-(3-methoxy-3-methylpentan-2-ylidene)hydroxylamine
SMILESCCC(C)(OC)/C(C)=N/O
InChIInChI=1S/C7H15NO2/c1-5-7(3,10-4)6(2)8-9/h9H,5H2,1-4H3/b8-6+
InChIKeyHHEXPZWWTDUHOW-SOFGYWHQSA-N
XLogP1.65
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

N-ethyl-3-methoxy-3-methylpentan-2-imine
CID 146600156
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxy-2-methylbutanamide
CID 114106266
6-ethyl-3-methoxy-3-methyloctan-4-one
CID 116746584
(NE)-N-[3-methoxy-3-methyl-1-(1,2,4-triazol-1-yl)pentan-2-ylidene]hydroxylamine
CID 171983612
3-methoxy-3-methylhexan-2-one
CID 83225432
N-ethyl-3-methyl-3-propoxypentan-2-imine
CID 153491896
3-ethyl-N-iodo-3-methylpentan-2-imine
CID 142531838
N-[3-methyl-3-(propylamino)butan-2-ylidene]hydroxylamine
CID 74050975
1-cyclopentyl-2-methoxy-2-methylbutan-1-one
CID 116746785
3-methoxy-3-methylheptan-2-one
CID 87290850
2-methoxy-2-methyl-1-phenylbutan-1-one
CID 10261995
methyl 2-ethyl-4-methoxy-4-methyl-3-oxohexanoate
CID 116774833

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(3-methoxy-3-methylpentan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3-methoxy-3-methylpentan-2-ylidene)hydroxylamine (CID 10606878) is (NE)-N-(3-methoxy-3-methylpentan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3-methoxy-3-methylpentan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3-methoxy-3-methylpentan-2-ylidene)hydroxylamine is CCC(C)(OC)/C(C)=N/O.
What is the InChIKey of (NE)-N-(3-methoxy-3-methylpentan-2-ylidene)hydroxylamine?
The InChIKey is HHEXPZWWTDUHOW-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5-7(3,10-4)6(2)8-9/h9H,5H2,1-4H3/b8-6+.
What are the key properties of (NE)-N-(3-methoxy-3-methylpentan-2-ylidene)hydroxylamine?
(NE)-N-(3-methoxy-3-methylpentan-2-ylidene)hydroxylamine has a molecular weight of 145.20 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-methoxy-3-methylpentan-2-ylidene)hydroxylamine is sourced from PubChem (CID 10606878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).