(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

C15H29BN2O2 — CID 174004814

IUPAC(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
SMILESCC/C(=C\N(/C=C\NC)CC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H29BN2O2/c1-8-13(12-18(9-2)11-10-17-7)16-19-14(3,4)15(5,6)20-16/h10-12,17H,8-9H2,1-7H3/b11-10-,13-12+
InChIKeyXYTDAOVDDLGXBN-JPYSRSMKSA-N
MW280.22 g/mol
LogP2.92
Rot. Bonds6

About (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

(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 (PubChem CID 174004814) has the molecular formula C15H29BN2O2 and a molecular weight of 280.22 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID174004814
Molecular FormulaC15H29BN2O2
Molecular Weight280.22 g/mol
Exact Mass280.23
IUPAC Name(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
SMILESCC/C(=C\N(/C=C\NC)CC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H29BN2O2/c1-8-13(12-18(9-2)11-10-17-7)16-19-14(3,4)15(5,6)20-16/h10-12,17H,8-9H2,1-7H3/b11-10-,13-12+
InChIKeyXYTDAOVDDLGXBN-JPYSRSMKSA-N
XLogP2.92
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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
N-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propylideneamino]methanamine
CID 142517046
4,4,5,5-tetramethyl-2-[(3E,5E)-6-phenylhexa-3,5-dien-3-yl]-1,3,2-dioxaborolane
CID 154711820
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
(1Z,3E)-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-1,3-dien-1-amine
CID 147652041
3-(1H-imidazol-5-yl)-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 170813860
(Z)-1-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-ene-1,3-diamine
CID 144665195
4-methylpent-2-yne;prop-2-en-1-amine;4,4,5,5-tetramethyl-2-[(Z)-pent-2-en-3-yl]-1,3,2-dioxaborolane
CID 162681199
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
3-[4-(methylamino)phenyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-ene-1-thiol
CID 170802811
3-(2,6-dimethylphenyl)-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 170814031
N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(2,4,5-trimethylphenyl)prop-2-en-1-amine
CID 170814308

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC/C(=C\N(/C=C\NC)CC)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (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?
The InChIKey is XYTDAOVDDLGXBN-JPYSRSMKSA-N. The full InChI is InChI=1S/C15H29BN2O2/c1-8-13(12-18(9-2)11-10-17-7)16-19-14(3,4)15(5,6)20-16/h10-12,17H,8-9H2,1-7H3/b11-10-,13-12+.
What are the key properties of (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?
(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 has a molecular weight of 280.22 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 174004814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).