N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]buta-1,3-dien-2-amine

C11H20BNO2 — CID 174069659

IUPACN-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]buta-1,3-dien-2-amine
SMILESC=CC(=C)NCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H20BNO2/c1-7-9(2)13-8-12-14-10(3,4)11(5,6)15-12/h7,13H,1-2,8H2,3-6H3
InChIKeyUGYMUIHEKYHSLU-UHFFFAOYSA-N
MW209.10 g/mol
LogP1.91
Rot. Bonds4

About N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]buta-1,3-dien-2-amine

N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]buta-1,3-dien-2-amine (PubChem CID 174069659) has the molecular formula C11H20BNO2 and a molecular weight of 209.10 g/mol. Its IUPAC name is N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]buta-1,3-dien-2-amine.

Molecular Properties

Compound NameN-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]buta-1,3-dien-2-amine
PubChem CID174069659
Molecular FormulaC11H20BNO2
Molecular Weight209.10 g/mol
Exact Mass209.16
IUPAC NameN-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]buta-1,3-dien-2-amine
SMILESC=CC(=C)NCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H20BNO2/c1-7-9(2)13-8-12-14-10(3,4)11(5,6)15-12/h7,13H,1-2,8H2,3-6H3
InChIKeyUGYMUIHEKYHSLU-UHFFFAOYSA-N
XLogP1.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.10
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 11471561
N-buta-1,3-dien-2-yl-2-methylpropan-1-amine
CID 139321589
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-dioxaborolan-2-yl) prop-2-enoate
CID 172738718
N-prop-2-enyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine;hydrochloride
CID 146155084
2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane
CID 143883669
N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanamide
CID 163343032
(2E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-2,4,6-trien-2-amine
CID 89033689
2-[(6E)-6-(1-methoxyprop-2-enylidene)-5-methylidenecyclohexa-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 159957998
CID 155885641
CID 155885641
methyl 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]but-2-enoate
CID 73025701

Frequently Asked Questions

What is the IUPAC name of N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]buta-1,3-dien-2-amine?
The IUPAC name of N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]buta-1,3-dien-2-amine (CID 174069659) is N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]buta-1,3-dien-2-amine.
What is the SMILES notation for N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]buta-1,3-dien-2-amine?
The canonical SMILES for N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]buta-1,3-dien-2-amine is C=CC(=C)NCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]buta-1,3-dien-2-amine?
The InChIKey is UGYMUIHEKYHSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BNO2/c1-7-9(2)13-8-12-14-10(3,4)11(5,6)15-12/h7,13H,1-2,8H2,3-6H3.
What are the key properties of N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]buta-1,3-dien-2-amine?
N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]buta-1,3-dien-2-amine has a molecular weight of 209.10 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]buta-1,3-dien-2-amine is sourced from PubChem (CID 174069659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).