1-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C14H22BrN3 — CID 105416318

IUPAC1-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(Cc1ccc(Br)cn1)CC1(N(C)C)CCC1
InChIInChI=1S/C14H22BrN3/c1-17(2)14(7-4-8-14)11-18(3)10-13-6-5-12(15)9-16-13/h5-6,9H,4,7-8,10-11H2,1-3H3
InChIKeyOBVILHJIRILYHF-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.76
Rot. Bonds5

About 1-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105416318) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105416318
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC Name1-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(Cc1ccc(Br)cn1)CC1(N(C)C)CCC1
InChIInChI=1S/C14H22BrN3/c1-17(2)14(7-4-8-14)11-18(3)10-13-6-5-12(15)9-16-13/h5-6,9H,4,7-8,10-11H2,1-3H3
InChIKeyOBVILHJIRILYHF-UHFFFAOYSA-N
XLogP2.76
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(5-chloropyrazin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 103054422
N-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
CID 115622395
1-[[(3-bromo-5-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416319
N-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 115622453
N-[(5-bromo-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 115641197
2-[(5-bromo-2-pyridinyl)methyl-methylamino]ethanethioamide
CID 104797290
5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine
CID 107204834
N-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 115622483
1-[[(3-bromo-2,6-difluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 106269248
N'-[(5-bromo-2-pyridinyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 113409255
1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine
CID 115622448
1-[[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 107113662

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105416318) is 1-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is CN(Cc1ccc(Br)cn1)CC1(N(C)C)CCC1.
What is the InChIKey of 1-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is OBVILHJIRILYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-17(2)14(7-4-8-14)11-18(3)10-13-6-5-12(15)9-16-13/h5-6,9H,4,7-8,10-11H2,1-3H3.
What are the key properties of 1-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 312.25 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105416318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).