(1R)-N,N-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine

C12H26BNO2 — CID 175053439

IUPAC(1R)-N,N-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine
SMILESCCC[C@@H](B1OC(C)(C)C(C)(C)O1)N(C)C
InChIInChI=1S/C12H26BNO2/c1-8-9-10(14(6)7)13-15-11(2,3)12(4,5)16-13/h10H,8-9H2,1-7H3/t10-/m0/s1
InChIKeyYSVUZOHVOMUXPU-JTQLQIEISA-N
MW227.16 g/mol
LogP2.35
Rot. Bonds4

About (1R)-N,N-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine

(1R)-N,N-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine (PubChem CID 175053439) has the molecular formula C12H26BNO2 and a molecular weight of 227.16 g/mol. Its IUPAC name is (1R)-N,N-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name(1R)-N,N-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine
PubChem CID175053439
Molecular FormulaC12H26BNO2
Molecular Weight227.16 g/mol
Exact Mass227.21
IUPAC Name(1R)-N,N-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine
SMILESCCC[C@@H](B1OC(C)(C)C(C)(C)O1)N(C)C
InChIInChI=1S/C12H26BNO2/c1-8-9-10(14(6)7)13-15-11(2,3)12(4,5)16-13/h10H,8-9H2,1-7H3/t10-/m0/s1
InChIKeyYSVUZOHVOMUXPU-JTQLQIEISA-N
XLogP2.35
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-iodobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 100963624
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanoic acid
CID 75487190
2-[(E,4R)-hept-2-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101473978
4,4,5,5-tetramethyl-2-pentan-3-yl-1,3,2-dioxaborolane
CID 56926967
(4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptan-2-one
CID 46909761
2-(3-ethenylhexan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132601552
4,4,5,5-tetramethyl-2-[(2R)-octan-2-yl]-1,3,2-dioxaborolane
CID 102188713
4,4,5,5-tetramethyl-2-[(2S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-1,3,2-dioxaborolane
CID 170898250
4,4,5,5-tetramethyl-2-[(3R)-3-methylpentan-2-yl]-1,3,2-dioxaborolane
CID 163771511
4,4,5,5-tetramethyl-2-oct-1-en-3-yl-1,3,2-dioxaborolane
CID 132938680
4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]butyl]-1,3,2-dioxaborolane
CID 164680836
N,N-dimethyl-1-(2-methyloxiran-2-yl)butan-1-amine
CID 141353079

Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine?
The IUPAC name of (1R)-N,N-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine (CID 175053439) is (1R)-N,N-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine.
What is the SMILES notation for (1R)-N,N-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine?
The canonical SMILES for (1R)-N,N-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine is CCC[C@@H](B1OC(C)(C)C(C)(C)O1)N(C)C.
What is the InChIKey of (1R)-N,N-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine?
The InChIKey is YSVUZOHVOMUXPU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H26BNO2/c1-8-9-10(14(6)7)13-15-11(2,3)12(4,5)16-13/h10H,8-9H2,1-7H3/t10-/m0/s1.
What are the key properties of (1R)-N,N-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine?
(1R)-N,N-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine has a molecular weight of 227.16 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,N-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine is sourced from PubChem (CID 175053439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).