N-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine

C11H17BrN2 — CID 115622395

IUPACN-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1ccc(Br)cn1
InChIInChI=1S/C11H17BrN2/c1-3-4-7-14(2)9-11-6-5-10(12)8-13-11/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyKFESZJNMBSHSDP-UHFFFAOYSA-N
MW257.18 g/mol
LogP3.08
Rot. Bonds5

About N-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine

N-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine (PubChem CID 115622395) has the molecular formula C11H17BrN2 and a molecular weight of 257.18 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
PubChem CID115622395
Molecular FormulaC11H17BrN2
Molecular Weight257.18 g/mol
Exact Mass256.06
IUPAC NameN-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1ccc(Br)cn1
InChIInChI=1S/C11H17BrN2/c1-3-4-7-14(2)9-11-6-5-10(12)8-13-11/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyKFESZJNMBSHSDP-UHFFFAOYSA-N
XLogP3.08
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine
CID 107204834
N-[(5-bromo-2-pyridinyl)methyl]-N-ethylbutan-1-amine
CID 115622533
N-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 115622453
N'-[(5-bromo-2-pyridinyl)methyl]-N'-butylethane-1,2-diamine
CID 104798124
N-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 115622483
N'-[(5-bromo-2-pyridinyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 113409255
2-[(5-bromo-2-pyridinyl)methyl-methylamino]ethanethioamide
CID 104797290
2-[(5-bromo-2-pyridinyl)methyl-propylamino]ethanol
CID 115622576
1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine
CID 115622448
4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine
CID 167637244
5-bromo-N-(2-bromoethyl)-N-butylpyridin-2-amine
CID 80669398
N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylpentan-2-amine
CID 115622616

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine (CID 115622395) is N-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1ccc(Br)cn1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine?
The InChIKey is KFESZJNMBSHSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-3-4-7-14(2)9-11-6-5-10(12)8-13-11/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of N-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine?
N-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine has a molecular weight of 257.18 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 115622395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).