(E)-6-(methylamino)dec-6-enoic acid

C11H21NO2 — CID 149455593

IUPAC(E)-6-(methylamino)dec-6-enoic acid
SMILESCCC/C=C(\CCCCC(=O)O)NC
InChIInChI=1S/C11H21NO2/c1-3-4-7-10(12-2)8-5-6-9-11(13)14/h7,12H,3-6,8-9H2,1-2H3,(H,13,14)/b10-7+
InChIKeyYYMHNNBOPRMUFE-JXMROGBWSA-N
MW199.29 g/mol
LogP2.53
Rot. Bonds8

About (E)-6-(methylamino)dec-6-enoic acid

(E)-6-(methylamino)dec-6-enoic acid (PubChem CID 149455593) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (E)-6-(methylamino)dec-6-enoic acid.

Molecular Properties

Compound Name(E)-6-(methylamino)dec-6-enoic acid
PubChem CID149455593
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(E)-6-(methylamino)dec-6-enoic acid
SMILESCCC/C=C(\CCCCC(=O)O)NC
InChIInChI=1S/C11H21NO2/c1-3-4-7-10(12-2)8-5-6-9-11(13)14/h7,12H,3-6,8-9H2,1-2H3,(H,13,14)/b10-7+
InChIKeyYYMHNNBOPRMUFE-JXMROGBWSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methylnonadec-3-en-4-amine
CID 174311135
docosanoic acid;N-methylmethanamine
CID 87854967
6-(methylamino)-6-oxohexanoic acid;pentanedioic acid
CID 175448112
(E)-tetracos-20-enoic acid
CID 171117693
(E)-undec-7-enoic acid
CID 5312729
CID 57488644
CID 57488644
(6E,12Z)-octadeca-6,12-dienoic acid
CID 101251526
(10E,12Z)-hexadeca-10,12-dienoic acid
CID 87408133
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
(1,3,5,7,9-13C5)hexadecanoic acid
CID 71309479
docosanoic acid;bis(tetracosanoic acid)
CID 161141504

Frequently Asked Questions

What is the IUPAC name of (E)-6-(methylamino)dec-6-enoic acid?
The IUPAC name of (E)-6-(methylamino)dec-6-enoic acid (CID 149455593) is (E)-6-(methylamino)dec-6-enoic acid.
What is the SMILES notation for (E)-6-(methylamino)dec-6-enoic acid?
The canonical SMILES for (E)-6-(methylamino)dec-6-enoic acid is CCC/C=C(\CCCCC(=O)O)NC.
What is the InChIKey of (E)-6-(methylamino)dec-6-enoic acid?
The InChIKey is YYMHNNBOPRMUFE-JXMROGBWSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-7-10(12-2)8-5-6-9-11(13)14/h7,12H,3-6,8-9H2,1-2H3,(H,13,14)/b10-7+.
What are the key properties of (E)-6-(methylamino)dec-6-enoic acid?
(E)-6-(methylamino)dec-6-enoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(methylamino)dec-6-enoic acid is sourced from PubChem (CID 149455593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).