N-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propylideneamino]methanamine

C10H21BN2O2 — CID 142517046

IUPACN-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propylideneamino]methanamine
SMILESCC/C(=N\NC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H21BN2O2/c1-7-8(13-12-6)11-14-9(2,3)10(4,5)15-11/h12H,7H2,1-6H3/b13-8+
InChIKeyGIQIVXMTXOSZCI-MDWZMJQESA-N
MW212.10 g/mol
LogP1.60
Rot. Bonds3

About N-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propylideneamino]methanamine

N-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propylideneamino]methanamine (PubChem CID 142517046) has the molecular formula C10H21BN2O2 and a molecular weight of 212.10 g/mol. Its IUPAC name is N-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propylideneamino]methanamine.

Molecular Properties

Compound NameN-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propylideneamino]methanamine
PubChem CID142517046
Molecular FormulaC10H21BN2O2
Molecular Weight212.10 g/mol
Exact Mass212.17
IUPAC NameN-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propylideneamino]methanamine
SMILESCC/C(=N\NC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H21BN2O2/c1-7-8(13-12-6)11-14-9(2,3)10(4,5)15-11/h12H,7H2,1-6H3/b13-8+
InChIKeyGIQIVXMTXOSZCI-MDWZMJQESA-N
XLogP1.60
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.10
LogP ≤ 51.60
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,4,5,5-tetramethyl-2-pent-2-en-3-yl-1,3,2-dioxaborolane
CID 76819365
(Z)-1-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-ene-1,3-diamine
CID 144665195
(Z)-N'-ethyl-N-methyl-N'-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]ethene-1,2-diamine
CID 174004814
2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164530123
(1Z,3E)-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-1,3-dien-1-amine
CID 147652041
4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-carboxamide
CID 57471748
ethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
CID 144582849
3-(2-ethoxypyrimidin-5-yl)-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 170814464
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
N-methyl-3-pyrimidin-5-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 170813876
N-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-2,4-dienamide
CID 129317517
3-(methylamino)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-one
CID 174074149

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propylideneamino]methanamine?
The IUPAC name of N-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propylideneamino]methanamine (CID 142517046) is N-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propylideneamino]methanamine.
What is the SMILES notation for N-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propylideneamino]methanamine?
The canonical SMILES for N-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propylideneamino]methanamine is CC/C(=N\NC)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of N-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propylideneamino]methanamine?
The InChIKey is GIQIVXMTXOSZCI-MDWZMJQESA-N. The full InChI is InChI=1S/C10H21BN2O2/c1-7-8(13-12-6)11-14-9(2,3)10(4,5)15-11/h12H,7H2,1-6H3/b13-8+.
What are the key properties of N-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propylideneamino]methanamine?
N-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propylideneamino]methanamine has a molecular weight of 212.10 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propylideneamino]methanamine is sourced from PubChem (CID 142517046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).