methyl 4-(dimethylamino)heptanoate

C10H21NO2 — CID 116910261

IUPACmethyl 4-(dimethylamino)heptanoate
SMILESCCCC(CCC(=O)OC)N(C)C
InChIInChI=1S/C10H21NO2/c1-5-6-9(11(2)3)7-8-10(12)13-4/h9H,5-8H2,1-4H3
InChIKeySKIZXTJNVSVINK-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.67
Rot. Bonds6

About methyl 4-(dimethylamino)heptanoate

methyl 4-(dimethylamino)heptanoate (PubChem CID 116910261) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 4-(dimethylamino)heptanoate.

Molecular Properties

Compound Namemethyl 4-(dimethylamino)heptanoate
PubChem CID116910261
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 4-(dimethylamino)heptanoate
SMILESCCCC(CCC(=O)OC)N(C)C
InChIInChI=1S/C10H21NO2/c1-5-6-9(11(2)3)7-8-10(12)13-4/h9H,5-8H2,1-4H3
InChIKeySKIZXTJNVSVINK-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[methyl(pentan-2-yl)amino]propanoate
CID 43430775
methyl 2-[[(3R)-hexan-3-yl]-methylamino]acetate
CID 90862212
methyl 4-nitroheptanoate
CID 11957850
methyl 8-[2-[9-(dimethylamino)heptadecyl]cyclopropyl]octanoate
CID 71679970
methyl 4,5-dibutylnonanoate
CID 166001971
dimethyl 4-methylheptanedioate
CID 521222
ethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate
CID 83043139
3-(dimethylamino)hexanoic acid
CID 64527574
methyl 4-pentylnonanoate
CID 177137762
chromium;methyl butanoate
CID 174781983
methyl butanoate;tetrahydrochloride
CID 173289582
methyl (4S)-4-aminohexanoate
CID 130019319

Frequently Asked Questions

What is the IUPAC name of methyl 4-(dimethylamino)heptanoate?
The IUPAC name of methyl 4-(dimethylamino)heptanoate (CID 116910261) is methyl 4-(dimethylamino)heptanoate.
What is the SMILES notation for methyl 4-(dimethylamino)heptanoate?
The canonical SMILES for methyl 4-(dimethylamino)heptanoate is CCCC(CCC(=O)OC)N(C)C.
What is the InChIKey of methyl 4-(dimethylamino)heptanoate?
The InChIKey is SKIZXTJNVSVINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-6-9(11(2)3)7-8-10(12)13-4/h9H,5-8H2,1-4H3.
What are the key properties of methyl 4-(dimethylamino)heptanoate?
methyl 4-(dimethylamino)heptanoate has a molecular weight of 187.28 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(dimethylamino)heptanoate is sourced from PubChem (CID 116910261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).