1-[2-(5-bromo-2-pyridinyl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine

C17H28BrN3 — CID 104803076

IUPAC1-[2-(5-bromo-2-pyridinyl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCNC(Cc1ccc(Br)cn1)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C17H28BrN3/c1-13-6-5-9-17(11-13,21(3)4)16(19-2)10-15-8-7-14(18)12-20-15/h7-8,12-13,16,19H,5-6,9-11H2,1-4H3
InChIKeyUZAVCPNZPRIGAB-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.49
Rot. Bonds5

About 1-[2-(5-bromo-2-pyridinyl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine

1-[2-(5-bromo-2-pyridinyl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 104803076) has the molecular formula C17H28BrN3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-pyridinyl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(5-bromo-2-pyridinyl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID104803076
Molecular FormulaC17H28BrN3
Molecular Weight354.34 g/mol
Exact Mass353.15
IUPAC Name1-[2-(5-bromo-2-pyridinyl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCNC(Cc1ccc(Br)cn1)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C17H28BrN3/c1-13-6-5-9-17(11-13,21(3)4)16(19-2)10-15-8-7-14(18)12-20-15/h7-8,12-13,16,19H,5-6,9-11H2,1-4H3
InChIKeyUZAVCPNZPRIGAB-UHFFFAOYSA-N
XLogP3.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenyl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79062833
1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 104803081
1-[2-(1-ethylimidazol-2-yl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79752550
2-(5-bromo-2-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767724
N,N,3-trimethyl-1-[1-(methylamino)but-3-ynyl]cyclohexan-1-amine
CID 79074998
N,N,3-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine
CID 103011187
1-[2-(3-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243659
1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243735
N,N,3-trimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cyclohexan-1-amine
CID 79074622
N,N,3-trimethyl-1-[1-(methylamino)hex-5-enyl]cyclohexan-1-amine
CID 79074031
2-(5-bromo-2-pyridinyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105181039
1-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243706

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-pyridinyl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[2-(5-bromo-2-pyridinyl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine (CID 104803076) is 1-[2-(5-bromo-2-pyridinyl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[2-(5-bromo-2-pyridinyl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[2-(5-bromo-2-pyridinyl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine is CNC(Cc1ccc(Br)cn1)C1(N(C)C)CCCC(C)C1.
What is the InChIKey of 1-[2-(5-bromo-2-pyridinyl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is UZAVCPNZPRIGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN3/c1-13-6-5-9-17(11-13,21(3)4)16(19-2)10-15-8-7-14(18)12-20-15/h7-8,12-13,16,19H,5-6,9-11H2,1-4H3.
What are the key properties of 1-[2-(5-bromo-2-pyridinyl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[2-(5-bromo-2-pyridinyl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 354.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-2-pyridinyl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 104803076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).