7-[ethyl(methyl)amino]-2-methylhept-2-enoic acid

C11H21NO2 — CID 175228281

IUPAC7-[ethyl(methyl)amino]-2-methylhept-2-enoic acid
SMILESCCN(C)CCCCC=C(C)C(=O)O
InChIInChI=1S/C11H21NO2/c1-4-12(3)9-7-5-6-8-10(2)11(13)14/h8H,4-7,9H2,1-3H3,(H,13,14)
InChIKeyZJGOQRQTBUWBNP-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.14
Rot. Bonds7

About 7-[ethyl(methyl)amino]-2-methylhept-2-enoic acid

7-[ethyl(methyl)amino]-2-methylhept-2-enoic acid (PubChem CID 175228281) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 7-[ethyl(methyl)amino]-2-methylhept-2-enoic acid.

Molecular Properties

Compound Name7-[ethyl(methyl)amino]-2-methylhept-2-enoic acid
PubChem CID175228281
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name7-[ethyl(methyl)amino]-2-methylhept-2-enoic acid
SMILESCCN(C)CCCCC=C(C)C(=O)O
InChIInChI=1S/C11H21NO2/c1-4-12(3)9-7-5-6-8-10(2)11(13)14/h8H,4-7,9H2,1-3H3,(H,13,14)
InChIKeyZJGOQRQTBUWBNP-UHFFFAOYSA-N
XLogP2.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,13-dimethyltetradeca-2,12-dienedioic acid
CID 173279289
N,N-dimethylformamide;2-methyloct-2-enoic acid
CID 161449780
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
4-[ethyl(methyl)amino]-2-methylbut-2-enoic acid
CID 77075837
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773
(E)-7-bromo-2-methylhept-2-enoic acid
CID 87183825
bis(N,N-dimethylmethanamine);2-methylhex-2-enoic acid;hydrochloride
CID 173034398
(2E,12E)-2-methylhenicosa-2,12-dienoic acid
CID 87122533
2-methylhenicosa-2,12-dienoic acid
CID 73411111
(E)-2-methylnon-2-enedioic acid
CID 87072449

Frequently Asked Questions

What is the IUPAC name of 7-[ethyl(methyl)amino]-2-methylhept-2-enoic acid?
The IUPAC name of 7-[ethyl(methyl)amino]-2-methylhept-2-enoic acid (CID 175228281) is 7-[ethyl(methyl)amino]-2-methylhept-2-enoic acid.
What is the SMILES notation for 7-[ethyl(methyl)amino]-2-methylhept-2-enoic acid?
The canonical SMILES for 7-[ethyl(methyl)amino]-2-methylhept-2-enoic acid is CCN(C)CCCCC=C(C)C(=O)O.
What is the InChIKey of 7-[ethyl(methyl)amino]-2-methylhept-2-enoic acid?
The InChIKey is ZJGOQRQTBUWBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-12(3)9-7-5-6-8-10(2)11(13)14/h8H,4-7,9H2,1-3H3,(H,13,14).
What are the key properties of 7-[ethyl(methyl)amino]-2-methylhept-2-enoic acid?
7-[ethyl(methyl)amino]-2-methylhept-2-enoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[ethyl(methyl)amino]-2-methylhept-2-enoic acid is sourced from PubChem (CID 175228281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).