4-bromo-N-(2-methoxyethyl)-N-methylhexa-2,4-dien-2-amine

C10H18BrNO — CID 123680902

IUPAC4-bromo-N-(2-methoxyethyl)-N-methylhexa-2,4-dien-2-amine
SMILESCC=C(Br)C=C(C)N(C)CCOC
InChIInChI=1S/C10H18BrNO/c1-5-10(11)8-9(2)12(3)6-7-13-4/h5,8H,6-7H2,1-4H3
InChIKeyXMONDJLZOHCFSW-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.77
Rot. Bonds5

About 4-bromo-N-(2-methoxyethyl)-N-methylhexa-2,4-dien-2-amine

4-bromo-N-(2-methoxyethyl)-N-methylhexa-2,4-dien-2-amine (PubChem CID 123680902) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 4-bromo-N-(2-methoxyethyl)-N-methylhexa-2,4-dien-2-amine.

Molecular Properties

Compound Name4-bromo-N-(2-methoxyethyl)-N-methylhexa-2,4-dien-2-amine
PubChem CID123680902
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name4-bromo-N-(2-methoxyethyl)-N-methylhexa-2,4-dien-2-amine
SMILESCC=C(Br)C=C(C)N(C)CCOC
InChIInChI=1S/C10H18BrNO/c1-5-10(11)8-9(2)12(3)6-7-13-4/h5,8H,6-7H2,1-4H3
InChIKeyXMONDJLZOHCFSW-UHFFFAOYSA-N
XLogP2.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methoxyethyl)-N-methylhexa-2,4-dien-2-amine?
The IUPAC name of 4-bromo-N-(2-methoxyethyl)-N-methylhexa-2,4-dien-2-amine (CID 123680902) is 4-bromo-N-(2-methoxyethyl)-N-methylhexa-2,4-dien-2-amine.
What is the SMILES notation for 4-bromo-N-(2-methoxyethyl)-N-methylhexa-2,4-dien-2-amine?
The canonical SMILES for 4-bromo-N-(2-methoxyethyl)-N-methylhexa-2,4-dien-2-amine is CC=C(Br)C=C(C)N(C)CCOC.
What is the InChIKey of 4-bromo-N-(2-methoxyethyl)-N-methylhexa-2,4-dien-2-amine?
The InChIKey is XMONDJLZOHCFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-5-10(11)8-9(2)12(3)6-7-13-4/h5,8H,6-7H2,1-4H3.
What are the key properties of 4-bromo-N-(2-methoxyethyl)-N-methylhexa-2,4-dien-2-amine?
4-bromo-N-(2-methoxyethyl)-N-methylhexa-2,4-dien-2-amine has a molecular weight of 248.16 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methoxyethyl)-N-methylhexa-2,4-dien-2-amine is sourced from PubChem (CID 123680902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).