(Z)-3-(oxan-2-ylamino)prop-2-enimidoyl bromide

C8H13BrN2O — CID 170151012

IUPAC(Z)-3-(oxan-2-ylamino)prop-2-enimidoyl bromide
SMILES[H]/N=C(Br)/C=C\NC1CCCCO1
InChIInChI=1S/C8H13BrN2O/c9-7(10)4-5-11-8-3-1-2-6-12-8/h4-5,8,10-11H,1-3,6H2/b5-4-,10-7-
InChIKeyXBPZVNUIBDXHIK-WKBXPBOGSA-N
MW233.11 g/mol
LogP1.99
Rot. Bonds3

About (Z)-3-(oxan-2-ylamino)prop-2-enimidoyl bromide

(Z)-3-(oxan-2-ylamino)prop-2-enimidoyl bromide (PubChem CID 170151012) has the molecular formula C8H13BrN2O and a molecular weight of 233.11 g/mol. Its IUPAC name is (Z)-3-(oxan-2-ylamino)prop-2-enimidoyl bromide.

Molecular Properties

Compound Name(Z)-3-(oxan-2-ylamino)prop-2-enimidoyl bromide
PubChem CID170151012
Molecular FormulaC8H13BrN2O
Molecular Weight233.11 g/mol
Exact Mass232.02
IUPAC Name(Z)-3-(oxan-2-ylamino)prop-2-enimidoyl bromide
SMILES[H]/N=C(Br)/C=C\NC1CCCCO1
InChIInChI=1S/C8H13BrN2O/c9-7(10)4-5-11-8-3-1-2-6-12-8/h4-5,8,10-11H,1-3,6H2/b5-4-,10-7-
InChIKeyXBPZVNUIBDXHIK-WKBXPBOGSA-N
XLogP1.99
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-bromo-N-methyl-N'-(oxan-2-yl)ethene-1,2-diamine
CID 156372242
(E)-3-bromo-3-(oxan-2-ylamino)prop-2-enimidoyl bromide
CID 156792261
3-amino-N-(oxan-2-yl)prop-2-enimidoyl bromide
CID 173936845

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(oxan-2-ylamino)prop-2-enimidoyl bromide?
The IUPAC name of (Z)-3-(oxan-2-ylamino)prop-2-enimidoyl bromide (CID 170151012) is (Z)-3-(oxan-2-ylamino)prop-2-enimidoyl bromide.
What is the SMILES notation for (Z)-3-(oxan-2-ylamino)prop-2-enimidoyl bromide?
The canonical SMILES for (Z)-3-(oxan-2-ylamino)prop-2-enimidoyl bromide is [H]/N=C(Br)/C=C\NC1CCCCO1.
What is the InChIKey of (Z)-3-(oxan-2-ylamino)prop-2-enimidoyl bromide?
The InChIKey is XBPZVNUIBDXHIK-WKBXPBOGSA-N. The full InChI is InChI=1S/C8H13BrN2O/c9-7(10)4-5-11-8-3-1-2-6-12-8/h4-5,8,10-11H,1-3,6H2/b5-4-,10-7-.
What are the key properties of (Z)-3-(oxan-2-ylamino)prop-2-enimidoyl bromide?
(Z)-3-(oxan-2-ylamino)prop-2-enimidoyl bromide has a molecular weight of 233.11 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(oxan-2-ylamino)prop-2-enimidoyl bromide is sourced from PubChem (CID 170151012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).