1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine

C16H26BrN3 — CID 104803081

IUPAC1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCN(C)C1(C(N)Cc2ccc(Br)cn2)CCCCCC1
InChIInChI=1S/C16H26BrN3/c1-20(2)16(9-5-3-4-6-10-16)15(18)11-14-8-7-13(17)12-19-14/h7-8,12,15H,3-6,9-11,18H2,1-2H3
InChIKeyRVVWSYHDMSWCFU-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.37
Rot. Bonds4

About 1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine

1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 104803081) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID104803081
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC Name1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCN(C)C1(C(N)Cc2ccc(Br)cn2)CCCCCC1
InChIInChI=1S/C16H26BrN3/c1-20(2)16(9-5-3-4-6-10-16)15(18)11-14-8-7-13(17)12-19-14/h7-8,12,15H,3-6,9-11,18H2,1-2H3
InChIKeyRVVWSYHDMSWCFU-UHFFFAOYSA-N
XLogP3.37
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(1-methylcyclopentyl)ethanamine
CID 105036053
1-[2-(5-bromo-2-pyridinyl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 104803076
1-[1-amino-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066061
1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine
CID 104802724
2-(5-bromo-2-pyridinyl)-1-cyclohexylethanamine
CID 104801170
1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066288
1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79081869
1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066221
2-(5-bromo-2-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767724
1-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79080656
1-(1-amino-2-thiophen-2-ylethyl)-N,N-dimethylcyclohexan-1-amine
CID 79066955
2-(5-bromo-2-pyridinyl)-1-(1-methoxycyclopentyl)ethanol
CID 104800613

Frequently Asked Questions

What is the IUPAC name of 1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine (CID 104803081) is 1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine is CN(C)C1(C(N)Cc2ccc(Br)cn2)CCCCCC1.
What is the InChIKey of 1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is RVVWSYHDMSWCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-20(2)16(9-5-3-4-6-10-16)15(18)11-14-8-7-13(17)12-19-14/h7-8,12,15H,3-6,9-11,18H2,1-2H3.
What are the key properties of 1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine?
1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 340.31 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 104803081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).