N-[2-(5-bromo-3-pyridinyl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine

C17H27BrN2O — CID 105036896

IUPACN-[2-(5-bromo-3-pyridinyl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncc(Br)c1)C1C(C)OC(C)C1C
InChIInChI=1S/C17H27BrN2O/c1-5-6-20-16(8-14-7-15(18)10-19-9-14)17-11(2)12(3)21-13(17)4/h7,9-13,16-17,20H,5-6,8H2,1-4H3
InChIKeyVLLGPBDTYHKEQR-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.81
Rot. Bonds6

About N-[2-(5-bromo-3-pyridinyl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine

N-[2-(5-bromo-3-pyridinyl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine (PubChem CID 105036896) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is N-[2-(5-bromo-3-pyridinyl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromo-3-pyridinyl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine
PubChem CID105036896
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC NameN-[2-(5-bromo-3-pyridinyl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncc(Br)c1)C1C(C)OC(C)C1C
InChIInChI=1S/C17H27BrN2O/c1-5-6-20-16(8-14-7-15(18)10-19-9-14)17-11(2)12(3)21-13(17)4/h7,9-13,16-17,20H,5-6,8H2,1-4H3
InChIKeyVLLGPBDTYHKEQR-UHFFFAOYSA-N
XLogP3.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155889
1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine
CID 105036606
1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 104801436
N-[2-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine
CID 105011555
3-phenyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
CID 115794268
N-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine
CID 105002168
N-[2-(5-bromo-3-pyridinyl)-1-(3,4-dichlorophenyl)ethyl]propan-1-amine
CID 104803602
N-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805696
3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 104810429
1-(5-bromo-3-pyridinyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 104802361
N-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine
CID 104801443
N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 104801058

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-3-pyridinyl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-bromo-3-pyridinyl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine (CID 105036896) is N-[2-(5-bromo-3-pyridinyl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-bromo-3-pyridinyl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-bromo-3-pyridinyl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1cncc(Br)c1)C1C(C)OC(C)C1C.
What is the InChIKey of N-[2-(5-bromo-3-pyridinyl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is VLLGPBDTYHKEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-5-6-20-16(8-14-7-15(18)10-19-9-14)17-11(2)12(3)21-13(17)4/h7,9-13,16-17,20H,5-6,8H2,1-4H3.
What are the key properties of N-[2-(5-bromo-3-pyridinyl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine?
N-[2-(5-bromo-3-pyridinyl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 355.32 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-3-pyridinyl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105036896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).