2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-amine

C12H24BNO2 — CID 105482748

IUPAC2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-amine
SMILESCC1(C)OB(C2CCCCC2N)OC1(C)C
InChIInChI=1S/C12H24BNO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h9-10H,5-8,14H2,1-4H3
InChIKeyWGJPWQMYTPKEBN-UHFFFAOYSA-N
MW225.14 g/mol
LogP2.35
Rot. Bonds1

About 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-amine

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-amine (PubChem CID 105482748) has the molecular formula C12H24BNO2 and a molecular weight of 225.14 g/mol. Its IUPAC name is 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-amine
PubChem CID105482748
Molecular FormulaC12H24BNO2
Molecular Weight225.14 g/mol
Exact Mass225.19
IUPAC Name2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-amine
SMILESCC1(C)OB(C2CCCCC2N)OC1(C)C
InChIInChI=1S/C12H24BNO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h9-10H,5-8,14H2,1-4H3
InChIKeyWGJPWQMYTPKEBN-UHFFFAOYSA-N
XLogP2.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-[(1S,2R)-2-methylcyclopentyl]-1,3,2-dioxaborolane
CID 101198944
CID 137258545
CID 137258545
2-[(1R,2R)-2-(methoxymethyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 67413514
2-[(1S)-2-cyclopropylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 74788899
2-[(1R)-2-butylcyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154712564
(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine
CID 99774006
2-[(1R,2R)-2-butylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15148448
2-cyclooct-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90890590
[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxysilane
CID 175414609
4,4,5,5-tetramethyl-2-[(1S,2S)-2-pentylcyclopropyl]-1,3,2-dioxaborolane
CID 102005638
4-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]piperidine;hydrochloride
CID 155859006
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol
CID 115035375

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-amine?
The IUPAC name of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-amine (CID 105482748) is 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-amine is CC1(C)OB(C2CCCCC2N)OC1(C)C.
What is the InChIKey of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-amine?
The InChIKey is WGJPWQMYTPKEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BNO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h9-10H,5-8,14H2,1-4H3.
What are the key properties of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-amine?
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-amine has a molecular weight of 225.14 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 105482748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).