(Z)-4-amino-2-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enal

C11H19BN2O3 — CID 170617788

IUPAC(Z)-4-amino-2-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enal
SMILESC/N=C(C=O)/C(=C\N)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H19BN2O3/c1-10(2)11(3,4)17-12(16-10)8(6-13)9(7-15)14-5/h6-7H,13H2,1-5H3/b8-6+,14-9+
InChIKeyDWYLRMHDLZXVMB-MKQNABESSA-N
MW238.10 g/mol
LogP0.73
Rot. Bonds3

About (Z)-4-amino-2-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enal

(Z)-4-amino-2-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enal (PubChem CID 170617788) has the molecular formula C11H19BN2O3 and a molecular weight of 238.10 g/mol. Its IUPAC name is (Z)-4-amino-2-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enal.

Molecular Properties

Compound Name(Z)-4-amino-2-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enal
PubChem CID170617788
Molecular FormulaC11H19BN2O3
Molecular Weight238.10 g/mol
Exact Mass238.15
IUPAC Name(Z)-4-amino-2-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enal
SMILESC/N=C(C=O)/C(=C\N)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H19BN2O3/c1-10(2)11(3,4)17-12(16-10)8(6-13)9(7-15)14-5/h6-7H,13H2,1-5H3/b8-6+,14-9+
InChIKeyDWYLRMHDLZXVMB-MKQNABESSA-N
XLogP0.73
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.10
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-4-amino-2-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-methylimino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-amine
CID 144908792
3-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine
CID 146797377
(Z)-3-(2-methoxyethylimino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-1-amine
CID 166474052
(Z)-3-imino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine
CID 88602147
4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-carboxamide
CID 57471748
(4Z)-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-2,4,6-trien-3-amine
CID 177171141
ethyl 2-[[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enylidene]amino]acetate
CID 155745743
2-butyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]hexanal
CID 132594455
(2Z,4Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-2,4-dienal
CID 145384665
4,4,5,5-tetramethyl-2-penta-1,3-dien-2-yl-1,3,2-dioxaborolane
CID 123806894
(Z)-3-imino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine
CID 142517083
(2Z,4Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-2,4-dienal;tungsten
CID 145384664

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-2-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enal?
The IUPAC name of (Z)-4-amino-2-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enal (CID 170617788) is (Z)-4-amino-2-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enal.
What is the SMILES notation for (Z)-4-amino-2-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enal?
The canonical SMILES for (Z)-4-amino-2-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enal is C/N=C(C=O)/C(=C\N)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (Z)-4-amino-2-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enal?
The InChIKey is DWYLRMHDLZXVMB-MKQNABESSA-N. The full InChI is InChI=1S/C11H19BN2O3/c1-10(2)11(3,4)17-12(16-10)8(6-13)9(7-15)14-5/h6-7H,13H2,1-5H3/b8-6+,14-9+.
What are the key properties of (Z)-4-amino-2-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enal?
(Z)-4-amino-2-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enal has a molecular weight of 238.10 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-2-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enal is sourced from PubChem (CID 170617788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).