N-methoxymethanamine;propan-2-yl acetate

C7H17NO3 — CID 158428721

IUPACN-methoxymethanamine;propan-2-yl acetate
SMILESCC(=O)OC(C)C.CNOC
InChIInChI=1S/C5H10O2.C2H7NO/c1-4(2)7-5(3)6;1-3-4-2/h4H,1-3H3;3H,1-2H3
InChIKeyHBJQGHGKRZZZGS-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.73
Rot. Bonds2

About N-methoxymethanamine;propan-2-yl acetate

N-methoxymethanamine;propan-2-yl acetate (PubChem CID 158428721) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N-methoxymethanamine;propan-2-yl acetate.

Molecular Properties

Compound NameN-methoxymethanamine;propan-2-yl acetate
PubChem CID158428721
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC NameN-methoxymethanamine;propan-2-yl acetate
SMILESCC(=O)OC(C)C.CNOC
InChIInChI=1S/C5H10O2.C2H7NO/c1-4(2)7-5(3)6;1-3-4-2/h4H,1-3H3;3H,1-2H3
InChIKeyHBJQGHGKRZZZGS-UHFFFAOYSA-N
XLogP0.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl acetate;hydrochloride
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propane;propan-2-yl acetate
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2-chloropropane;methyl acetate
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pentan-1-ol;propan-2-yl acetate
CID 88770459
methyl (2R,3S)-2-[(1R)-1-acetyloxyethyl]-3-hydroxybutanoate
CID 10241996
methyl acetate;ruthenium
CID 160799101
1,2-dimethoxyethane;propan-2-yl hydrogen carbonate
CID 175458709
[(2R)-but-3-en-2-yl] acetate
CID 11378468
methyl (E)-2,3,4-trimethylpent-2-enoate
CID 122645067
propan-2-yl 2,4-dimethyl-3-propan-2-ylpent-2-enoate
CID 88632004
dimethyl butanedioate;1-methoxypropan-2-yl acetate
CID 18699572

Frequently Asked Questions

What is the IUPAC name of N-methoxymethanamine;propan-2-yl acetate?
The IUPAC name of N-methoxymethanamine;propan-2-yl acetate (CID 158428721) is N-methoxymethanamine;propan-2-yl acetate.
What is the SMILES notation for N-methoxymethanamine;propan-2-yl acetate?
The canonical SMILES for N-methoxymethanamine;propan-2-yl acetate is CC(=O)OC(C)C.CNOC.
What is the InChIKey of N-methoxymethanamine;propan-2-yl acetate?
The InChIKey is HBJQGHGKRZZZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C2H7NO/c1-4(2)7-5(3)6;1-3-4-2/h4H,1-3H3;3H,1-2H3.
What are the key properties of N-methoxymethanamine;propan-2-yl acetate?
N-methoxymethanamine;propan-2-yl acetate has a molecular weight of 163.22 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxymethanamine;propan-2-yl acetate is sourced from PubChem (CID 158428721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).