(Z)-3-methylimino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-amine

C11H21BN2O2 — CID 144908792

IUPAC(Z)-3-methylimino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-amine
SMILESC/N=C(C)/C(=C\N)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H21BN2O2/c1-8(14-6)9(7-13)12-15-10(2,3)11(4,5)16-12/h7H,13H2,1-6H3/b9-7+,14-8+
InChIKeyCHBKRMKQCJTPRI-AITIXOJYSA-N
MW224.11 g/mol
LogP1.55
Rot. Bonds2

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

(Z)-3-methylimino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-amine (PubChem CID 144908792) has the molecular formula C11H21BN2O2 and a molecular weight of 224.11 g/mol. Its IUPAC name is (Z)-3-methylimino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-methylimino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-amine
PubChem CID144908792
Molecular FormulaC11H21BN2O2
Molecular Weight224.11 g/mol
Exact Mass224.17
IUPAC Name(Z)-3-methylimino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-amine
SMILESC/N=C(C)/C(=C\N)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H21BN2O2/c1-8(14-6)9(7-13)12-15-10(2,3)11(4,5)16-12/h7H,13H2,1-6H3/b9-7+,14-8+
InChIKeyCHBKRMKQCJTPRI-AITIXOJYSA-N
XLogP1.55
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.11
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-amino-2-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enal
CID 170617788
3-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine
CID 146797377
(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
(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
methyl-[(2Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dien-2-yl]diazene
CID 144995014
2-bromo-3-methyliminobut-1-en-1-amine
CID 173494002
ethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
CID 144582849
4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-carboxamide
CID 57471748
(Z,4E)-4-iodophosphanylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-en-2-amine
CID 177003518
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

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methylimino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-amine?
The IUPAC name of (Z)-3-methylimino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-amine (CID 144908792) is (Z)-3-methylimino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-amine.
What is the SMILES notation for (Z)-3-methylimino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-amine?
The canonical SMILES for (Z)-3-methylimino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-amine is C/N=C(C)/C(=C\N)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (Z)-3-methylimino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-amine?
The InChIKey is CHBKRMKQCJTPRI-AITIXOJYSA-N. The full InChI is InChI=1S/C11H21BN2O2/c1-8(14-6)9(7-13)12-15-10(2,3)11(4,5)16-12/h7H,13H2,1-6H3/b9-7+,14-8+.
What are the key properties of (Z)-3-methylimino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-amine?
(Z)-3-methylimino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-amine has a molecular weight of 224.11 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylimino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-amine is sourced from PubChem (CID 144908792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).