(E)-2-methyl-6-[methyl(propyl)amino]hex-4-enoic acid

C11H21NO2 — CID 20736859

IUPAC(E)-2-methyl-6-[methyl(propyl)amino]hex-4-enoic acid
SMILESCCCN(C)C/C=C/CC(C)C(=O)O
InChIInChI=1S/C11H21NO2/c1-4-8-12(3)9-6-5-7-10(2)11(13)14/h5-6,10H,4,7-9H2,1-3H3,(H,13,14)/b6-5+
InChIKeyMIQDYNAEPNIXIR-AATRIKPKSA-N
MW199.29 g/mol
LogP2.00
Rot. Bonds7

About (E)-2-methyl-6-[methyl(propyl)amino]hex-4-enoic acid

(E)-2-methyl-6-[methyl(propyl)amino]hex-4-enoic acid (PubChem CID 20736859) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (E)-2-methyl-6-[methyl(propyl)amino]hex-4-enoic acid.

Molecular Properties

Compound Name(E)-2-methyl-6-[methyl(propyl)amino]hex-4-enoic acid
PubChem CID20736859
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(E)-2-methyl-6-[methyl(propyl)amino]hex-4-enoic acid
SMILESCCCN(C)C/C=C/CC(C)C(=O)O
InChIInChI=1S/C11H21NO2/c1-4-8-12(3)9-6-5-7-10(2)11(13)14/h5-6,10H,4,7-9H2,1-3H3,(H,13,14)/b6-5+
InChIKeyMIQDYNAEPNIXIR-AATRIKPKSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-2-methyl-6-[methyl(propyl)amino]hex-4-enoate
CID 20736870
1-[(E)-5-methylhex-2-enyl]pyrrolidine-3-carboxylic acid
CID 22322909
1,2,2,6,6-pentamethyl-3H-pyridine-3-carboxylic acid
CID 56619811
2-Methyl-6-[methyl(propyl)amino]hex-4-enoic acid
CID 73702731
Ethyl 2-methyl-6-[methyl(propyl)amino]hex-4-enoate
CID 73702736
1-(5-Methylhex-2-enyl)pyrrolidine-3-carboxylic acid
CID 73882428
2-(Carboxymethyl)but-3-enyl-trimethylazanium
CID 91397214
2-[4-(Dimethylamino)-3-methylcyclohexa-1,5-dien-1-yl]acetic acid
CID 130242596
(4E)-4-(1,5-dimethylpiperidin-3-ylidene)butanoic acid
CID 130409396
(4Z,6Z)-8-[(dimethylamino)methyl]nona-4,6,8-trienoic acid
CID 143939504
[(2S)-2-(carboxymethyl)but-3-enyl]-trimethylazanium
CID 163912454
(E)-3-[[bis(pent-4-en-2-yl)amino]methyl]hex-4-enoic acid
CID 169646697

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-6-[methyl(propyl)amino]hex-4-enoic acid?
The IUPAC name of (E)-2-methyl-6-[methyl(propyl)amino]hex-4-enoic acid (CID 20736859) is (E)-2-methyl-6-[methyl(propyl)amino]hex-4-enoic acid.
What is the SMILES notation for (E)-2-methyl-6-[methyl(propyl)amino]hex-4-enoic acid?
The canonical SMILES for (E)-2-methyl-6-[methyl(propyl)amino]hex-4-enoic acid is CCCN(C)C/C=C/CC(C)C(=O)O.
What is the InChIKey of (E)-2-methyl-6-[methyl(propyl)amino]hex-4-enoic acid?
The InChIKey is MIQDYNAEPNIXIR-AATRIKPKSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-8-12(3)9-6-5-7-10(2)11(13)14/h5-6,10H,4,7-9H2,1-3H3,(H,13,14)/b6-5+.
What are the key properties of (E)-2-methyl-6-[methyl(propyl)amino]hex-4-enoic acid?
(E)-2-methyl-6-[methyl(propyl)amino]hex-4-enoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-6-[methyl(propyl)amino]hex-4-enoic acid is sourced from PubChem (CID 20736859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).