2-bromo-N-ethoxyprop-2-en-1-amine

C5H10BrNO — CID 61235596

IUPAC2-bromo-N-ethoxyprop-2-en-1-amine
SMILESC=C(Br)CNOCC
InChIInChI=1S/C5H10BrNO/c1-3-8-7-4-5(2)6/h7H,2-4H2,1H3
InChIKeyDJTVZEBSXDHWMY-UHFFFAOYSA-N
MW180.04 g/mol
LogP1.44
Rot. Bonds4

About 2-bromo-N-ethoxyprop-2-en-1-amine

2-bromo-N-ethoxyprop-2-en-1-amine (PubChem CID 61235596) has the molecular formula C5H10BrNO and a molecular weight of 180.04 g/mol. Its IUPAC name is 2-bromo-N-ethoxyprop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-ethoxyprop-2-en-1-amine
PubChem CID61235596
Molecular FormulaC5H10BrNO
Molecular Weight180.04 g/mol
Exact Mass178.99
IUPAC Name2-bromo-N-ethoxyprop-2-en-1-amine
SMILESC=C(Br)CNOCC
InChIInChI=1S/C5H10BrNO/c1-3-8-7-4-5(2)6/h7H,2-4H2,1H3
InChIKeyDJTVZEBSXDHWMY-UHFFFAOYSA-N
XLogP1.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.04
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethoxyprop-2-en-1-amine?
The IUPAC name of 2-bromo-N-ethoxyprop-2-en-1-amine (CID 61235596) is 2-bromo-N-ethoxyprop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-ethoxyprop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-ethoxyprop-2-en-1-amine is C=C(Br)CNOCC.
What is the InChIKey of 2-bromo-N-ethoxyprop-2-en-1-amine?
The InChIKey is DJTVZEBSXDHWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrNO/c1-3-8-7-4-5(2)6/h7H,2-4H2,1H3.
What are the key properties of 2-bromo-N-ethoxyprop-2-en-1-amine?
2-bromo-N-ethoxyprop-2-en-1-amine has a molecular weight of 180.04 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethoxyprop-2-en-1-amine is sourced from PubChem (CID 61235596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).