[5-(dimethylamino)-3-methylpentyl] 2-methylprop-2-enoate

C12H23NO2 — CID 11367867

IUPAC[5-(dimethylamino)-3-methylpentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(C)CCN(C)C
InChIInChI=1S/C12H23NO2/c1-10(2)12(14)15-9-7-11(3)6-8-13(4)5/h11H,1,6-9H2,2-5H3
InChIKeyKHAKXGUGDZZXSZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.08
Rot. Bonds7

About [5-(dimethylamino)-3-methylpentyl] 2-methylprop-2-enoate

[5-(dimethylamino)-3-methylpentyl] 2-methylprop-2-enoate (PubChem CID 11367867) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is [5-(dimethylamino)-3-methylpentyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[5-(dimethylamino)-3-methylpentyl] 2-methylprop-2-enoate
PubChem CID11367867
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name[5-(dimethylamino)-3-methylpentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(C)CCN(C)C
InChIInChI=1S/C12H23NO2/c1-10(2)12(14)15-9-7-11(3)6-8-13(4)5/h11H,1,6-9H2,2-5H3
InChIKeyKHAKXGUGDZZXSZ-UHFFFAOYSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.08
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

[4-(dimethylamino)-3-methylbutyl] 2-methylprop-2-enoate
CID 170780631
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
3-methylhexadecyl 2-methylprop-2-enoate
CID 140601644
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 159218034
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide
CID 175228289
[2-methyl-4-(2-methylprop-2-enoyloxy)butyl]phosphonic acid
CID 139818991
methyl 4-[4-[methyl-[3-methyl-5-(2-methylprop-2-enoyloxy)pentyl]carbamoyl]cyclohexyl]cyclohexane-1-carboxylate
CID 168800340
azane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride
CID 174828907
8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide
CID 141499392
butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 19967472
2-[[3-methyl-5-[2-(3-methylbuta-1,3-dien-2-yloxy)ethylcarbamoyloxy]pentoxy]carbonylamino]ethyl 2-methylprop-2-enoate;2-[2-[methyl-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]amino]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 158768076

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylamino)-3-methylpentyl] 2-methylprop-2-enoate?
The IUPAC name of [5-(dimethylamino)-3-methylpentyl] 2-methylprop-2-enoate (CID 11367867) is [5-(dimethylamino)-3-methylpentyl] 2-methylprop-2-enoate.
What is the SMILES notation for [5-(dimethylamino)-3-methylpentyl] 2-methylprop-2-enoate?
The canonical SMILES for [5-(dimethylamino)-3-methylpentyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(C)CCN(C)C.
What is the InChIKey of [5-(dimethylamino)-3-methylpentyl] 2-methylprop-2-enoate?
The InChIKey is KHAKXGUGDZZXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)12(14)15-9-7-11(3)6-8-13(4)5/h11H,1,6-9H2,2-5H3.
What are the key properties of [5-(dimethylamino)-3-methylpentyl] 2-methylprop-2-enoate?
[5-(dimethylamino)-3-methylpentyl] 2-methylprop-2-enoate has a molecular weight of 213.32 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylamino)-3-methylpentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 11367867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).