methyl 2-methoxypentanimidate

C7H15NO2 — CID 116727295

IUPACmethyl 2-methoxypentanimidate
SMILES[H]/N=C(\OC)C(CCC)OC
InChIInChI=1S/C7H15NO2/c1-4-5-6(9-2)7(8)10-3/h6,8H,4-5H2,1-3H3/b8-7-
InChIKeyDHDORCAHONNJLS-FPLPWBNLSA-N
MW145.20 g/mol
LogP1.43
Rot. Bonds4

About methyl 2-methoxypentanimidate

methyl 2-methoxypentanimidate (PubChem CID 116727295) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is methyl 2-methoxypentanimidate.

Molecular Properties

Compound Namemethyl 2-methoxypentanimidate
PubChem CID116727295
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namemethyl 2-methoxypentanimidate
SMILES[H]/N=C(\OC)C(CCC)OC
InChIInChI=1S/C7H15NO2/c1-4-5-6(9-2)7(8)10-3/h6,8H,4-5H2,1-3H3/b8-7-
InChIKeyDHDORCAHONNJLS-FPLPWBNLSA-N
XLogP1.43
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-hydroxypentanimidate
CID 130126876
methyl (2R)-2-methoxypentanoate
CID 30403288
3-methoxy-2-methylhex-1-ene
CID 123417422
methyl 4-methoxy-2-methyl-3-oxoheptanoate
CID 116728016
3-methoxy-2-oxohexanal
CID 91124811
2-ethoxy-N,N-diethylpentanimidamide
CID 116732421
5-methoxy-2-methyloctan-4-one
CID 116708189
5-methoxy-3-methyloctan-4-one
CID 116708022
methyl 4-methylhexanimidate
CID 57248628
4-methoxypentadecan-5-one
CID 116708152
propan-2-yl (2S)-6-imino-2-[[(2S)-2-methoxypentanoyl]amino]-5-oxohexanoate
CID 167014874
1-cyclobutyl-2-methoxypentan-1-one
CID 116708018

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxypentanimidate?
The IUPAC name of methyl 2-methoxypentanimidate (CID 116727295) is methyl 2-methoxypentanimidate.
What is the SMILES notation for methyl 2-methoxypentanimidate?
The canonical SMILES for methyl 2-methoxypentanimidate is [H]/N=C(\OC)C(CCC)OC.
What is the InChIKey of methyl 2-methoxypentanimidate?
The InChIKey is DHDORCAHONNJLS-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-5-6(9-2)7(8)10-3/h6,8H,4-5H2,1-3H3/b8-7-.
What are the key properties of methyl 2-methoxypentanimidate?
methyl 2-methoxypentanimidate has a molecular weight of 145.20 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxypentanimidate is sourced from PubChem (CID 116727295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).