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

C10H19BN2O2 — CID 146797377

IUPAC3-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine
SMILESC/N=C(\C=CN)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H19BN2O2/c1-9(2)10(3,4)15-11(14-9)8(13-5)6-7-12/h6-7H,12H2,1-5H3/b7-6?,13-8+
InChIKeyMOBCXZKYXKHMBF-KAORETLCSA-N
MW210.09 g/mol
LogP1.16
Rot. Bonds2

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

3-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine (PubChem CID 146797377) has the molecular formula C10H19BN2O2 and a molecular weight of 210.09 g/mol. Its IUPAC name is 3-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name3-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine
PubChem CID146797377
Molecular FormulaC10H19BN2O2
Molecular Weight210.09 g/mol
Exact Mass210.15
IUPAC Name3-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine
SMILESC/N=C(\C=CN)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H19BN2O2/c1-9(2)10(3,4)15-11(14-9)8(13-5)6-7-12/h6-7H,12H2,1-5H3/b7-6?,13-8+
InChIKeyMOBCXZKYXKHMBF-KAORETLCSA-N
XLogP1.16
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 51.16
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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Frequently Asked Questions

What is the IUPAC name of 3-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine?
The IUPAC name of 3-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine (CID 146797377) is 3-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine.
What is the SMILES notation for 3-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine?
The canonical SMILES for 3-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine is C/N=C(\C=CN)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 3-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine?
The InChIKey is MOBCXZKYXKHMBF-KAORETLCSA-N. The full InChI is InChI=1S/C10H19BN2O2/c1-9(2)10(3,4)15-11(14-9)8(13-5)6-7-12/h6-7H,12H2,1-5H3/b7-6?,13-8+.
What are the key properties of 3-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine?
3-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine has a molecular weight of 210.09 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine is sourced from PubChem (CID 146797377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).