N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]propan-1-amine

C19H29BN2O2 — CID 131314274

IUPACN,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]propan-1-amine
SMILESCN(C)CCCn1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc21
InChIInChI=1S/C19H29BN2O2/c1-18(2)19(3,4)24-20(23-18)16-8-9-17-15(14-16)10-13-22(17)12-7-11-21(5)6/h8-10,13-14H,7,11-12H2,1-6H3
InChIKeyKUJNPJOWQCWDIX-UHFFFAOYSA-N
MW328.27 g/mol
LogP2.89
Rot. Bonds5

About N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]propan-1-amine

N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]propan-1-amine (PubChem CID 131314274) has the molecular formula C19H29BN2O2 and a molecular weight of 328.27 g/mol. Its IUPAC name is N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]propan-1-amine
PubChem CID131314274
Molecular FormulaC19H29BN2O2
Molecular Weight328.27 g/mol
Exact Mass328.23
IUPAC NameN,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]propan-1-amine
SMILESCN(C)CCCn1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc21
InChIInChI=1S/C19H29BN2O2/c1-18(2)19(3,4)24-20(23-18)16-8-9-17-15(14-16)10-13-22(17)12-7-11-21(5)6/h8-10,13-14H,7,11-12H2,1-6H3
InChIKeyKUJNPJOWQCWDIX-UHFFFAOYSA-N
XLogP2.89
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]acetamide
CID 66791461
tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]silane
CID 56973095
N,N-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethanamine
CID 153315799
2-(5-tert-butylindol-1-yl)-N,N-dimethylethanamine
CID 90244443
[1-[2-(dimethylamino)ethyl]indol-5-yl]methanol
CID 102912856
anilino-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]amino]phenyl]methanol
CID 129228915
1-[3-(dimethylamino)propyl]indole-6-carbaldehyde
CID 102911050
2-[2-(3-hydroxypropoxy)ethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-1-one
CID 155697737
N-[1-[3-(dimethylamino)propyl]indol-5-yl]thiophene-2-carboxamide
CID 141192457
N-[2-(5-chloroindol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 55256324
1-butyl-N,N-dimethylindol-5-amine
CID 129132176
5-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-1-methylindole
CID 132502151

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]propan-1-amine (CID 131314274) is N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]propan-1-amine is CN(C)CCCn1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc21.
What is the InChIKey of N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]propan-1-amine?
The InChIKey is KUJNPJOWQCWDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BN2O2/c1-18(2)19(3,4)24-20(23-18)16-8-9-17-15(14-16)10-13-22(17)12-7-11-21(5)6/h8-10,13-14H,7,11-12H2,1-6H3.
What are the key properties of N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]propan-1-amine?
N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]propan-1-amine has a molecular weight of 328.27 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]propan-1-amine is sourced from PubChem (CID 131314274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).