N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylpentan-2-amine

C13H21BrN2 — CID 115622616

IUPACN-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)N(C)Cc1ccc(Br)cn1
InChIInChI=1S/C13H21BrN2/c1-10(2)7-11(3)16(4)9-13-6-5-12(14)8-15-13/h5-6,8,10-11H,7,9H2,1-4H3
InChIKeyUVIVJISHLVNAMJ-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.71
Rot. Bonds5

About N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylpentan-2-amine

N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylpentan-2-amine (PubChem CID 115622616) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylpentan-2-amine
PubChem CID115622616
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC NameN-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)N(C)Cc1ccc(Br)cn1
InChIInChI=1S/C13H21BrN2/c1-10(2)7-11(3)16(4)9-13-6-5-12(14)8-15-13/h5-6,8,10-11H,7,9H2,1-4H3
InChIKeyUVIVJISHLVNAMJ-UHFFFAOYSA-N
XLogP3.71
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(5-bromo-2-pyridinyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190702
5-bromo-2-(4-methylpentan-2-yloxymethyl)pyridine
CID 104809745
N-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
CID 115622395
N'-[(5-bromo-2-pyridinyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 113409255
N-[(5-bromo-2-pyridinyl)methyl]-N-(2-methylpropyl)cyclopropanamine
CID 115622615
5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
CID 63872878
2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103108096
5-bromo-N-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 61373959
N-[(5-bromo-2-pyridinyl)methyl]-N-(cyclopropylmethyl)propan-2-amine
CID 115641200
N-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 115622453
N-[(5-bromo-2-pyridinyl)methyl]-N-ethylbutan-1-amine
CID 115622533
5-bromo-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 63463815

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylpentan-2-amine?
The IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylpentan-2-amine (CID 115622616) is N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylpentan-2-amine.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylpentan-2-amine?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylpentan-2-amine is CC(C)CC(C)N(C)Cc1ccc(Br)cn1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylpentan-2-amine?
The InChIKey is UVIVJISHLVNAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-10(2)7-11(3)16(4)9-13-6-5-12(14)8-15-13/h5-6,8,10-11H,7,9H2,1-4H3.
What are the key properties of N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylpentan-2-amine?
N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylpentan-2-amine has a molecular weight of 285.23 g/mol, XLogP of 3.71, 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,4-dimethylpentan-2-amine is sourced from PubChem (CID 115622616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).