[4-(dimethylamino)-2-methylbutan-2-yl] prop-2-enoate

C10H19NO2 — CID 139716915

IUPAC[4-(dimethylamino)-2-methylbutan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(C)(C)CCN(C)C
InChIInChI=1S/C10H19NO2/c1-6-9(12)13-10(2,3)7-8-11(4)5/h6H,1,7-8H2,2-5H3
InChIKeyJNUROLLVMOXIOD-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.45
Rot. Bonds5

About [4-(dimethylamino)-2-methylbutan-2-yl] prop-2-enoate

[4-(dimethylamino)-2-methylbutan-2-yl] prop-2-enoate (PubChem CID 139716915) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is [4-(dimethylamino)-2-methylbutan-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[4-(dimethylamino)-2-methylbutan-2-yl] prop-2-enoate
PubChem CID139716915
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name[4-(dimethylamino)-2-methylbutan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(C)(C)CCN(C)C
InChIInChI=1S/C10H19NO2/c1-6-9(12)13-10(2,3)7-8-11(4)5/h6H,1,7-8H2,2-5H3
InChIKeyJNUROLLVMOXIOD-UHFFFAOYSA-N
XLogP1.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2,6-dimethyl-6-prop-2-enoyloxyheptan-2-yl) prop-2-enoate
CID 131723135
(2,7-dimethyl-7-prop-2-enoyloxyoctan-2-yl) prop-2-enoate
CID 131723132
(3-methyl-3-prop-2-enoyloxybutyl) prop-2-enoate
CID 19428987
(5-amino-2-methyl-5-prop-2-enoyloxyhexan-2-yl) prop-2-enoate
CID 146606688
(2-methyl-1-methylsulfanylpropan-2-yl) prop-2-enoate
CID 20643698
[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl] prop-2-enoate
CID 88942481
tert-butyl prop-2-enoate
CID 158231977
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
CID 141152964
2-methyl-2-prop-2-enoyloxypropane-1-sulfonate
CID 167346440
tert-butyl prop-2-enoate;methanol
CID 174833528
2-hydroxypropan-2-yl prop-2-enoate
CID 22726323
6-methyl-2-pentyl-6-prop-2-enoyloxyheptanoic acid
CID 174810891

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-2-methylbutan-2-yl] prop-2-enoate?
The IUPAC name of [4-(dimethylamino)-2-methylbutan-2-yl] prop-2-enoate (CID 139716915) is [4-(dimethylamino)-2-methylbutan-2-yl] prop-2-enoate.
What is the SMILES notation for [4-(dimethylamino)-2-methylbutan-2-yl] prop-2-enoate?
The canonical SMILES for [4-(dimethylamino)-2-methylbutan-2-yl] prop-2-enoate is C=CC(=O)OC(C)(C)CCN(C)C.
What is the InChIKey of [4-(dimethylamino)-2-methylbutan-2-yl] prop-2-enoate?
The InChIKey is JNUROLLVMOXIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6-9(12)13-10(2,3)7-8-11(4)5/h6H,1,7-8H2,2-5H3.
What are the key properties of [4-(dimethylamino)-2-methylbutan-2-yl] prop-2-enoate?
[4-(dimethylamino)-2-methylbutan-2-yl] prop-2-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-2-methylbutan-2-yl] prop-2-enoate is sourced from PubChem (CID 139716915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).