1-[(3-methylbutan-2-ylideneamino)methoxy]propan-2-one

C9H17NO2 — CID 154043866

IUPAC1-[(3-methylbutan-2-ylideneamino)methoxy]propan-2-one
SMILESCC(=O)COCN=C(C)C(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)9(4)10-6-12-5-8(3)11/h7H,5-6H2,1-4H3
InChIKeyVSVSEFMQSOBKNZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.67
Rot. Bonds5

About 1-[(3-methylbutan-2-ylideneamino)methoxy]propan-2-one

1-[(3-methylbutan-2-ylideneamino)methoxy]propan-2-one (PubChem CID 154043866) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-[(3-methylbutan-2-ylideneamino)methoxy]propan-2-one.

Molecular Properties

Compound Name1-[(3-methylbutan-2-ylideneamino)methoxy]propan-2-one
PubChem CID154043866
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-[(3-methylbutan-2-ylideneamino)methoxy]propan-2-one
SMILESCC(=O)COCN=C(C)C(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)9(4)10-6-12-5-8(3)11/h7H,5-6H2,1-4H3
InChIKeyVSVSEFMQSOBKNZ-UHFFFAOYSA-N
XLogP1.67
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-one
CID 170040791
2-(3-methylbutan-2-ylideneamino)oxyacetic acid
CID 77013154
magnesium;1-ethoxypropan-2-one;hydride
CID 173062640
1-(10-methylundecoxy)propan-2-one
CID 171604608
1-(2-methylpropylamino)oxypropan-2-one
CID 23150488
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 175805082
1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 138727906
4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one
CID 59109167
1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 158591321
[(E)-3-methylbutan-2-ylideneamino] carbamate
CID 143595167
1-[2-[2-[2-[2-(iodoamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 134579487
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one
CID 177155890

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylbutan-2-ylideneamino)methoxy]propan-2-one?
The IUPAC name of 1-[(3-methylbutan-2-ylideneamino)methoxy]propan-2-one (CID 154043866) is 1-[(3-methylbutan-2-ylideneamino)methoxy]propan-2-one.
What is the SMILES notation for 1-[(3-methylbutan-2-ylideneamino)methoxy]propan-2-one?
The canonical SMILES for 1-[(3-methylbutan-2-ylideneamino)methoxy]propan-2-one is CC(=O)COCN=C(C)C(C)C.
What is the InChIKey of 1-[(3-methylbutan-2-ylideneamino)methoxy]propan-2-one?
The InChIKey is VSVSEFMQSOBKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)9(4)10-6-12-5-8(3)11/h7H,5-6H2,1-4H3.
What are the key properties of 1-[(3-methylbutan-2-ylideneamino)methoxy]propan-2-one?
1-[(3-methylbutan-2-ylideneamino)methoxy]propan-2-one has a molecular weight of 171.24 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylbutan-2-ylideneamino)methoxy]propan-2-one is sourced from PubChem (CID 154043866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).