methyl 2-[(dimethylamino)methyl]-4-methylpentanoate

C10H21NO2 — CID 117242042

IUPACmethyl 2-[(dimethylamino)methyl]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)CN(C)C
InChIInChI=1S/C10H21NO2/c1-8(2)6-9(7-11(3)4)10(12)13-5/h8-9H,6-7H2,1-5H3
InChIKeyDWRFOVWKOYJBKH-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.38
Rot. Bonds5

About methyl 2-[(dimethylamino)methyl]-4-methylpentanoate

methyl 2-[(dimethylamino)methyl]-4-methylpentanoate (PubChem CID 117242042) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 2-[(dimethylamino)methyl]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(dimethylamino)methyl]-4-methylpentanoate
PubChem CID117242042
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 2-[(dimethylamino)methyl]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)CN(C)C
InChIInChI=1S/C10H21NO2/c1-8(2)6-9(7-11(3)4)10(12)13-5/h8-9H,6-7H2,1-5H3
InChIKeyDWRFOVWKOYJBKH-UHFFFAOYSA-N
XLogP1.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(dimethylamino)methyl]-4-methylpentanoate?
The IUPAC name of methyl 2-[(dimethylamino)methyl]-4-methylpentanoate (CID 117242042) is methyl 2-[(dimethylamino)methyl]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(dimethylamino)methyl]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(dimethylamino)methyl]-4-methylpentanoate is COC(=O)C(CC(C)C)CN(C)C.
What is the InChIKey of methyl 2-[(dimethylamino)methyl]-4-methylpentanoate?
The InChIKey is DWRFOVWKOYJBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)6-9(7-11(3)4)10(12)13-5/h8-9H,6-7H2,1-5H3.
What are the key properties of methyl 2-[(dimethylamino)methyl]-4-methylpentanoate?
methyl 2-[(dimethylamino)methyl]-4-methylpentanoate has a molecular weight of 187.28 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(dimethylamino)methyl]-4-methylpentanoate is sourced from PubChem (CID 117242042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).