2-bromo-3-(oxan-4-ylimino)prop-1-en-1-amine

C8H13BrN2O — CID 148723063

IUPAC2-bromo-3-(oxan-4-ylimino)prop-1-en-1-amine
SMILESNC=C(Br)/C=N/C1CCOCC1
InChIInChI=1S/C8H13BrN2O/c9-7(5-10)6-11-8-1-3-12-4-2-8/h5-6,8H,1-4,10H2/b7-5?,11-6+
InChIKeyMZSPMKUZQKBLEV-UHYUDDSYSA-N
MW233.11 g/mol
LogP1.43
Rot. Bonds2

About 2-bromo-3-(oxan-4-ylimino)prop-1-en-1-amine

2-bromo-3-(oxan-4-ylimino)prop-1-en-1-amine (PubChem CID 148723063) has the molecular formula C8H13BrN2O and a molecular weight of 233.11 g/mol. Its IUPAC name is 2-bromo-3-(oxan-4-ylimino)prop-1-en-1-amine.

Molecular Properties

Compound Name2-bromo-3-(oxan-4-ylimino)prop-1-en-1-amine
PubChem CID148723063
Molecular FormulaC8H13BrN2O
Molecular Weight233.11 g/mol
Exact Mass232.02
IUPAC Name2-bromo-3-(oxan-4-ylimino)prop-1-en-1-amine
SMILESNC=C(Br)/C=N/C1CCOCC1
InChIInChI=1S/C8H13BrN2O/c9-7(5-10)6-11-8-1-3-12-4-2-8/h5-6,8H,1-4,10H2/b7-5?,11-6+
InChIKeyMZSPMKUZQKBLEV-UHYUDDSYSA-N
XLogP1.43
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3E,7E)-3,6-dimethyl-2-(oxan-4-yliminomethyl)undeca-1,3,5,7-tetraen-1-amine;yttrium
CID 177234826
2-methyl-3-(oxolan-3-ylimino)but-1-en-1-amine
CID 174357445
1-nitro-3-(oxan-4-ylimino)prop-1-en-1-amine
CID 174033831
1-(oxetan-3-ylimino)but-2-ene-2,3-diamine
CID 163502502
ethene;1-methylidene-2-(oxan-4-yl)guanidine
CID 156898460
4-methyl-2-(oxan-4-yliminomethyl)aniline
CID 171735268
6-[1-amino-3-(oxan-4-ylimino)prop-1-en-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]pyridine-3-carbaldehyde
CID 178081335
1-cyclopropyl-2-(oxan-4-yl)guanidine
CID 62361761
4-isocyanatooxane
CID 51711953
4-methyloxane
CID 91181599
6-N-[1-amino-3-(oxan-4-ylimino)prop-1-en-2-yl]-3-methyl-4-N-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-[1,2]thiazolo[5,4-d]pyrimidine-4,6-diamine
CID 147017559
(2-aminophenyl)-(oxan-4-yl)methanone
CID 64834175

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(oxan-4-ylimino)prop-1-en-1-amine?
The IUPAC name of 2-bromo-3-(oxan-4-ylimino)prop-1-en-1-amine (CID 148723063) is 2-bromo-3-(oxan-4-ylimino)prop-1-en-1-amine.
What is the SMILES notation for 2-bromo-3-(oxan-4-ylimino)prop-1-en-1-amine?
The canonical SMILES for 2-bromo-3-(oxan-4-ylimino)prop-1-en-1-amine is NC=C(Br)/C=N/C1CCOCC1.
What is the InChIKey of 2-bromo-3-(oxan-4-ylimino)prop-1-en-1-amine?
The InChIKey is MZSPMKUZQKBLEV-UHYUDDSYSA-N. The full InChI is InChI=1S/C8H13BrN2O/c9-7(5-10)6-11-8-1-3-12-4-2-8/h5-6,8H,1-4,10H2/b7-5?,11-6+.
What are the key properties of 2-bromo-3-(oxan-4-ylimino)prop-1-en-1-amine?
2-bromo-3-(oxan-4-ylimino)prop-1-en-1-amine has a molecular weight of 233.11 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(oxan-4-ylimino)prop-1-en-1-amine is sourced from PubChem (CID 148723063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).