(Z)-3-(2-methoxyethylimino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-1-amine

C14H27BN2O3 — CID 166474052

IUPAC(Z)-3-(2-methoxyethylimino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-1-amine
SMILESCCC(=N\CCOC)/C(=C\N)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H27BN2O3/c1-7-12(17-8-9-18-6)11(10-16)15-19-13(2,3)14(4,5)20-15/h10H,7-9,16H2,1-6H3/b11-10+,17-12+
InChIKeyMFVKHARDCTVDOK-SXSSDGSKSA-N
MW282.19 g/mol
LogP1.96
Rot. Bonds6

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

(Z)-3-(2-methoxyethylimino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-1-amine (PubChem CID 166474052) has the molecular formula C14H27BN2O3 and a molecular weight of 282.19 g/mol. Its IUPAC name is (Z)-3-(2-methoxyethylimino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(2-methoxyethylimino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-1-amine
PubChem CID166474052
Molecular FormulaC14H27BN2O3
Molecular Weight282.19 g/mol
Exact Mass282.21
IUPAC Name(Z)-3-(2-methoxyethylimino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-1-amine
SMILESCCC(=N\CCOC)/C(=C\N)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H27BN2O3/c1-7-12(17-8-9-18-6)11(10-16)15-19-13(2,3)14(4,5)20-15/h10H,7-9,16H2,1-6H3/b11-10+,17-12+
InChIKeyMFVKHARDCTVDOK-SXSSDGSKSA-N
XLogP1.96
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-methylimino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-amine
CID 144908792
(Z)-4-amino-2-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enal
CID 170617788
(Z)-2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2-methoxyethylimino)but-1-en-1-amine
CID 166474493
4,4,5,5-tetramethyl-2-pent-2-en-3-yl-1,3,2-dioxaborolane
CID 76819365
(Z)-4-(2-methoxyethylimino)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pent-2-en-2-amine
CID 166473947
ethyl 2-[[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enylidene]amino]acetate
CID 155745743
[N'-(2-methoxyethyl)carbamimidoyl]thiourea
CID 19439671
1-hydroxy-2-(2-methoxyethyl)guanidine
CID 62482674
(Z)-3-imino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine
CID 88602147
N'-(2-methoxyethyl)-3-methylbutanimidamide
CID 63181243
(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
2-[(1E)-1-ethoxybuta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134895348

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-methoxyethylimino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-1-amine?
The IUPAC name of (Z)-3-(2-methoxyethylimino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-1-amine (CID 166474052) is (Z)-3-(2-methoxyethylimino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-1-amine.
What is the SMILES notation for (Z)-3-(2-methoxyethylimino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-1-amine?
The canonical SMILES for (Z)-3-(2-methoxyethylimino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-1-amine is CCC(=N\CCOC)/C(=C\N)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (Z)-3-(2-methoxyethylimino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-1-amine?
The InChIKey is MFVKHARDCTVDOK-SXSSDGSKSA-N. The full InChI is InChI=1S/C14H27BN2O3/c1-7-12(17-8-9-18-6)11(10-16)15-19-13(2,3)14(4,5)20-15/h10H,7-9,16H2,1-6H3/b11-10+,17-12+.
What are the key properties of (Z)-3-(2-methoxyethylimino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-1-amine?
(Z)-3-(2-methoxyethylimino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-1-amine has a molecular weight of 282.19 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-methoxyethylimino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-1-amine is sourced from PubChem (CID 166474052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).