N-methyl-N-(methylideneamino)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenamine

C10H19BN2O2 — CID 147392556

IUPACN-methyl-N-(methylideneamino)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenamine
SMILESC=NN(C)C(=C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H19BN2O2/c1-8(13(7)12-6)11-14-9(2,3)10(4,5)15-11/h1,6H2,2-5,7H3
InChIKeyDNDYYIPDRFFITB-UHFFFAOYSA-N
MW210.09 g/mol
LogP1.68
Rot. Bonds3

About N-methyl-N-(methylideneamino)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenamine

N-methyl-N-(methylideneamino)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenamine (PubChem CID 147392556) has the molecular formula C10H19BN2O2 and a molecular weight of 210.09 g/mol. Its IUPAC name is N-methyl-N-(methylideneamino)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenamine.

Molecular Properties

Compound NameN-methyl-N-(methylideneamino)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenamine
PubChem CID147392556
Molecular FormulaC10H19BN2O2
Molecular Weight210.09 g/mol
Exact Mass210.15
IUPAC NameN-methyl-N-(methylideneamino)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenamine
SMILESC=NN(C)C(=C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H19BN2O2/c1-8(13(7)12-6)11-14-9(2,3)10(4,5)15-11/h1,6H2,2-5,7H3
InChIKeyDNDYYIPDRFFITB-UHFFFAOYSA-N
XLogP1.68
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
CID 144582849
4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-1,3,2-dioxaborolane
CID 11748396
(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
4,4,5,5-tetramethyl-2-penta-1,3-dien-2-yl-1,3,2-dioxaborolane
CID 123806894
4,4,5,5-tetramethyl-2-[(2R)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]-1,3,2-dioxaborolane
CID 11347361
2-(5-fluoro-2-methylhexa-3,5-dien-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123849356
methyl-[(2Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dien-2-yl]diazene
CID 144995014
4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane
CID 134904577
4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-carboxamide
CID 57471748
N-[(1E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-1,4-dienyl]methanimine
CID 143898116
4,4,5,5-tetramethyl-2-[1-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane
CID 135060885
2-[1-(3-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 46928619

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(methylideneamino)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenamine?
The IUPAC name of N-methyl-N-(methylideneamino)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenamine (CID 147392556) is N-methyl-N-(methylideneamino)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenamine.
What is the SMILES notation for N-methyl-N-(methylideneamino)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenamine?
The canonical SMILES for N-methyl-N-(methylideneamino)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenamine is C=NN(C)C(=C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of N-methyl-N-(methylideneamino)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenamine?
The InChIKey is DNDYYIPDRFFITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BN2O2/c1-8(13(7)12-6)11-14-9(2,3)10(4,5)15-11/h1,6H2,2-5,7H3.
What are the key properties of N-methyl-N-(methylideneamino)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenamine?
N-methyl-N-(methylideneamino)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenamine has a molecular weight of 210.09 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(methylideneamino)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenamine is sourced from PubChem (CID 147392556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).