1-(oxetan-3-ylimino)but-2-ene-2,3-diamine

C7H13N3O — CID 163502502

IUPAC1-(oxetan-3-ylimino)but-2-ene-2,3-diamine
SMILESCC(N)=C(N)/C=N/C1COC1
InChIInChI=1S/C7H13N3O/c1-5(8)7(9)2-10-6-3-11-4-6/h2,6H,3-4,8-9H2,1H3/b7-5?,10-2+
InChIKeyGNRQRRLPYWCOMS-JOCNWKIGSA-N
MW155.20 g/mol
LogP-0.40
Rot. Bonds2

About 1-(oxetan-3-ylimino)but-2-ene-2,3-diamine

1-(oxetan-3-ylimino)but-2-ene-2,3-diamine (PubChem CID 163502502) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(oxetan-3-ylimino)but-2-ene-2,3-diamine.

Molecular Properties

Compound Name1-(oxetan-3-ylimino)but-2-ene-2,3-diamine
PubChem CID163502502
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1-(oxetan-3-ylimino)but-2-ene-2,3-diamine
SMILESCC(N)=C(N)/C=N/C1COC1
InChIInChI=1S/C7H13N3O/c1-5(8)7(9)2-10-6-3-11-4-6/h2,6H,3-4,8-9H2,1H3/b7-5?,10-2+
InChIKeyGNRQRRLPYWCOMS-JOCNWKIGSA-N
XLogP-0.40
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(oxolan-3-ylimino)but-1-en-1-amine
CID 174357445
2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide
CID 79906347
N'-(4-methyloxolan-3-yl)ethanimidamide
CID 170275954
2-bromo-3-(oxan-4-ylimino)prop-1-en-1-amine
CID 148723063
1-amino-2-(1,4-dioxepan-6-yl)guanidine
CID 126996388
N'-ethyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carboximidamide
CID 131062553
1-cyclopropyl-2-(3-methyloxan-4-yl)guanidine
CID 130491764
(Z)-3-(1,1-dihydroxythian-4-yl)imino-2-methylprop-1-en-1-amine
CID 170573857
4-[[3-amino-3-(3-methoxy-2,2-dimethylpropoxy)-2-methylprop-2-enylidene]amino]cyclohexan-1-amine
CID 174077948
(2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-3-yl)ethanimine
CID 164857293
(1Z,3E,7E)-3,6-dimethyl-2-(oxan-4-yliminomethyl)undeca-1,3,5,7-tetraen-1-amine;yttrium
CID 177234826
(E)-3-methyl-4-methyliminobut-2-en-2-amine
CID 167081339

Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-ylimino)but-2-ene-2,3-diamine?
The IUPAC name of 1-(oxetan-3-ylimino)but-2-ene-2,3-diamine (CID 163502502) is 1-(oxetan-3-ylimino)but-2-ene-2,3-diamine.
What is the SMILES notation for 1-(oxetan-3-ylimino)but-2-ene-2,3-diamine?
The canonical SMILES for 1-(oxetan-3-ylimino)but-2-ene-2,3-diamine is CC(N)=C(N)/C=N/C1COC1.
What is the InChIKey of 1-(oxetan-3-ylimino)but-2-ene-2,3-diamine?
The InChIKey is GNRQRRLPYWCOMS-JOCNWKIGSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5(8)7(9)2-10-6-3-11-4-6/h2,6H,3-4,8-9H2,1H3/b7-5?,10-2+.
What are the key properties of 1-(oxetan-3-ylimino)but-2-ene-2,3-diamine?
1-(oxetan-3-ylimino)but-2-ene-2,3-diamine has a molecular weight of 155.20 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-ylimino)but-2-ene-2,3-diamine is sourced from PubChem (CID 163502502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).