(Z)-N-(2-methoxyethyl)-2,4-dimethylhex-2-en-1-amine

C11H23NO — CID 79337389

IUPAC(Z)-N-(2-methoxyethyl)-2,4-dimethylhex-2-en-1-amine
SMILESCCC(C)/C=C(/C)CNCCOC
InChIInChI=1S/C11H23NO/c1-5-10(2)8-11(3)9-12-6-7-13-4/h8,10,12H,5-7,9H2,1-4H3/b11-8-
InChIKeyXFZLCIPDLITDJA-FLIBITNWSA-N
MW185.31 g/mol
LogP2.21
Rot. Bonds7

About (Z)-N-(2-methoxyethyl)-2,4-dimethylhex-2-en-1-amine

(Z)-N-(2-methoxyethyl)-2,4-dimethylhex-2-en-1-amine (PubChem CID 79337389) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (Z)-N-(2-methoxyethyl)-2,4-dimethylhex-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(2-methoxyethyl)-2,4-dimethylhex-2-en-1-amine
PubChem CID79337389
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(Z)-N-(2-methoxyethyl)-2,4-dimethylhex-2-en-1-amine
SMILESCCC(C)/C=C(/C)CNCCOC
InChIInChI=1S/C11H23NO/c1-5-10(2)8-11(3)9-12-6-7-13-4/h8,10,12H,5-7,9H2,1-4H3/b11-8-
InChIKeyXFZLCIPDLITDJA-FLIBITNWSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-methoxyethyl)-2,4-dimethylhex-2-en-1-amine?
The IUPAC name of (Z)-N-(2-methoxyethyl)-2,4-dimethylhex-2-en-1-amine (CID 79337389) is (Z)-N-(2-methoxyethyl)-2,4-dimethylhex-2-en-1-amine.
What is the SMILES notation for (Z)-N-(2-methoxyethyl)-2,4-dimethylhex-2-en-1-amine?
The canonical SMILES for (Z)-N-(2-methoxyethyl)-2,4-dimethylhex-2-en-1-amine is CCC(C)/C=C(/C)CNCCOC.
What is the InChIKey of (Z)-N-(2-methoxyethyl)-2,4-dimethylhex-2-en-1-amine?
The InChIKey is XFZLCIPDLITDJA-FLIBITNWSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-10(2)8-11(3)9-12-6-7-13-4/h8,10,12H,5-7,9H2,1-4H3/b11-8-.
What are the key properties of (Z)-N-(2-methoxyethyl)-2,4-dimethylhex-2-en-1-amine?
(Z)-N-(2-methoxyethyl)-2,4-dimethylhex-2-en-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-methoxyethyl)-2,4-dimethylhex-2-en-1-amine is sourced from PubChem (CID 79337389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).