(4Z)-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-2,4,6-trien-3-amine

C15H26BNO2 — CID 177171141

IUPAC(4Z)-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-2,4,6-trien-3-amine
SMILESC=C(C)/C=C(/B1OC(C)(C)C(C)(C)O1)C(N)=C(C)C
InChIInChI=1S/C15H26BNO2/c1-10(2)9-12(13(17)11(3)4)16-18-14(5,6)15(7,8)19-16/h9H,1,17H2,2-8H3/b12-9+
InChIKeyWCWJXQPFLSNUJW-FMIVXFBMSA-N
MW263.19 g/mol
LogP3.37
Rot. Bonds3

About (4Z)-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-2,4,6-trien-3-amine

(4Z)-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-2,4,6-trien-3-amine (PubChem CID 177171141) has the molecular formula C15H26BNO2 and a molecular weight of 263.19 g/mol. Its IUPAC name is (4Z)-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(4Z)-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-2,4,6-trien-3-amine
PubChem CID177171141
Molecular FormulaC15H26BNO2
Molecular Weight263.19 g/mol
Exact Mass263.21
IUPAC Name(4Z)-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-2,4,6-trien-3-amine
SMILESC=C(C)/C=C(/B1OC(C)(C)C(C)(C)O1)C(N)=C(C)C
InChIInChI=1S/C15H26BNO2/c1-10(2)9-12(13(17)11(3)4)16-18-14(5,6)15(7,8)19-16/h9H,1,17H2,2-8H3/b12-9+
InChIKeyWCWJXQPFLSNUJW-FMIVXFBMSA-N
XLogP3.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 53.37
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

(Z)-3-methylimino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-amine
CID 144908792
ethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
CID 144582849
(Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoic acid
CID 70944716
(4E)-7-methyl-3-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octa-1,4,6-trien-4-ol
CID 153350614
(2E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-2,4,6-trien-2-amine
CID 89033689
methyl-[(2Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dien-2-yl]diazene
CID 144995014
4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-carboxamide
CID 57471748
N-methyl-N-(methylideneamino)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenamine
CID 147392556
(1E)-1-amino-3-methylbuta-1,3-dien-1-ol;ethane
CID 142851465
4,4,5,5-tetramethyl-2-penta-1,3-dien-2-yl-1,3,2-dioxaborolane
CID 123806894
(Z)-4-amino-2-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enal
CID 170617788
(Z)-3-imino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine
CID 88602147

Frequently Asked Questions

What is the IUPAC name of (4Z)-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-2,4,6-trien-3-amine?
The IUPAC name of (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) is (4Z)-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (4Z)-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-2,4,6-trien-3-amine?
The canonical SMILES for (4Z)-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-2,4,6-trien-3-amine is C=C(C)/C=C(/B1OC(C)(C)C(C)(C)O1)C(N)=C(C)C.
What is the InChIKey of (4Z)-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-2,4,6-trien-3-amine?
The InChIKey is WCWJXQPFLSNUJW-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H26BNO2/c1-10(2)9-12(13(17)11(3)4)16-18-14(5,6)15(7,8)19-16/h9H,1,17H2,2-8H3/b12-9+.
What are the key properties of (4Z)-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-2,4,6-trien-3-amine?
(4Z)-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-2,4,6-trien-3-amine has a molecular weight of 263.19 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 177171141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).