methyl 2-[(dimethylamino)methyl]-2-propylpentanoate

C12H25NO2 — CID 10846364

IUPACmethyl 2-[(dimethylamino)methyl]-2-propylpentanoate
SMILESCCCC(CCC)(CN(C)C)C(=O)OC
InChIInChI=1S/C12H25NO2/c1-6-8-12(9-7-2,10-13(3)4)11(14)15-5/h6-10H2,1-5H3
InChIKeyOVBHFAUQSUDBET-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.31
Rot. Bonds7

About methyl 2-[(dimethylamino)methyl]-2-propylpentanoate

methyl 2-[(dimethylamino)methyl]-2-propylpentanoate (PubChem CID 10846364) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is methyl 2-[(dimethylamino)methyl]-2-propylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(dimethylamino)methyl]-2-propylpentanoate
PubChem CID10846364
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Namemethyl 2-[(dimethylamino)methyl]-2-propylpentanoate
SMILESCCCC(CCC)(CN(C)C)C(=O)OC
InChIInChI=1S/C12H25NO2/c1-6-8-12(9-7-2,10-13(3)4)11(14)15-5/h6-10H2,1-5H3
InChIKeyOVBHFAUQSUDBET-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(dimethylamino)-2,2-dimethylpropanoate
CID 79623514
methyl 2,2-dipropylhex-4-ynoate
CID 57142462
λ2-stannane;methyl 2,2-dibutylhexanoate
CID 174859558
methyl (2S)-2-ethyl-2-propylpent-4-enoate
CID 642266
methyl 2,2-dipropylhept-5-ynoate
CID 57122422
methyl 2-butyl-2-(hydroxymethyl)hexanoate
CID 175319412
methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate
CID 79624643
methyl 2-butyl-2-(dimethylamino)hexanoate
CID 598500
methyl 3-(diethylamino)-2,2-dimethylpropanoate
CID 79623821
methyl 2-(ethylamino)-2-propylpentanoate
CID 60787868
ethyl 3-(dimethylamino)-2,2-dimethylpropanoate
CID 129270991
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(dimethylamino)methyl]-2-propylpentanoate?
The IUPAC name of methyl 2-[(dimethylamino)methyl]-2-propylpentanoate (CID 10846364) is methyl 2-[(dimethylamino)methyl]-2-propylpentanoate.
What is the SMILES notation for methyl 2-[(dimethylamino)methyl]-2-propylpentanoate?
The canonical SMILES for methyl 2-[(dimethylamino)methyl]-2-propylpentanoate is CCCC(CCC)(CN(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[(dimethylamino)methyl]-2-propylpentanoate?
The InChIKey is OVBHFAUQSUDBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-8-12(9-7-2,10-13(3)4)11(14)15-5/h6-10H2,1-5H3.
What are the key properties of methyl 2-[(dimethylamino)methyl]-2-propylpentanoate?
methyl 2-[(dimethylamino)methyl]-2-propylpentanoate has a molecular weight of 215.34 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(dimethylamino)methyl]-2-propylpentanoate is sourced from PubChem (CID 10846364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).