2-bromo-N-(1,4-dioxan-2-ylmethyl)prop-2-en-1-amine

C8H14BrNO2 — CID 61023147

IUPAC2-bromo-N-(1,4-dioxan-2-ylmethyl)prop-2-en-1-amine
SMILESC=C(Br)CNCC1COCCO1
InChIInChI=1S/C8H14BrNO2/c1-7(9)4-10-5-8-6-11-2-3-12-8/h8,10H,1-6H2
InChIKeyIEDIBDLDFHHVBE-UHFFFAOYSA-N
MW236.11 g/mol
LogP0.90
Rot. Bonds4

About 2-bromo-N-(1,4-dioxan-2-ylmethyl)prop-2-en-1-amine

2-bromo-N-(1,4-dioxan-2-ylmethyl)prop-2-en-1-amine (PubChem CID 61023147) has the molecular formula C8H14BrNO2 and a molecular weight of 236.11 g/mol. Its IUPAC name is 2-bromo-N-(1,4-dioxan-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-(1,4-dioxan-2-ylmethyl)prop-2-en-1-amine
PubChem CID61023147
Molecular FormulaC8H14BrNO2
Molecular Weight236.11 g/mol
Exact Mass235.02
IUPAC Name2-bromo-N-(1,4-dioxan-2-ylmethyl)prop-2-en-1-amine
SMILESC=C(Br)CNCC1COCCO1
InChIInChI=1S/C8H14BrNO2/c1-7(9)4-10-5-8-6-11-2-3-12-8/h8,10H,1-6H2
InChIKeyIEDIBDLDFHHVBE-UHFFFAOYSA-N
XLogP0.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1,4-dioxan-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 2-bromo-N-(1,4-dioxan-2-ylmethyl)prop-2-en-1-amine (CID 61023147) is 2-bromo-N-(1,4-dioxan-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-(1,4-dioxan-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-(1,4-dioxan-2-ylmethyl)prop-2-en-1-amine is C=C(Br)CNCC1COCCO1.
What is the InChIKey of 2-bromo-N-(1,4-dioxan-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is IEDIBDLDFHHVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO2/c1-7(9)4-10-5-8-6-11-2-3-12-8/h8,10H,1-6H2.
What are the key properties of 2-bromo-N-(1,4-dioxan-2-ylmethyl)prop-2-en-1-amine?
2-bromo-N-(1,4-dioxan-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 236.11 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1,4-dioxan-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 61023147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).