N-[(5-bromo-3-pyridinyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine

C13H21BrN2O — CID 104857055

IUPACN-[(5-bromo-3-pyridinyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CNCc1cncc(Br)c1
InChIInChI=1S/C13H21BrN2O/c1-13(2,4-5-17-3)10-16-8-11-6-12(14)9-15-7-11/h6-7,9,16H,4-5,8,10H2,1-3H3
InChIKeySNSYIYKZXQTASP-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.00
Rot. Bonds7

About N-[(5-bromo-3-pyridinyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine

N-[(5-bromo-3-pyridinyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine (PubChem CID 104857055) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
PubChem CID104857055
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CNCc1cncc(Br)c1
InChIInChI=1S/C13H21BrN2O/c1-13(2,4-5-17-3)10-16-8-11-6-12(14)9-15-7-11/h6-7,9,16H,4-5,8,10H2,1-3H3
InChIKeySNSYIYKZXQTASP-UHFFFAOYSA-N
XLogP3.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromo-3-pyridinyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine with MolForge

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Related Compounds

N-[(5-bromo-3-pyridinyl)methyl]-5-chloro-2,2-dimethylpentan-1-amine
CID 106140672
1-[(5-bromo-3-pyridinyl)methylamino]-2-methylpropan-2-ol
CID 104796974
1-[(5-bromo-3-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol
CID 104797006
3-(5-bromo-3-pyridinyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 104810566
N-[(5-bromo-3-pyridinyl)methyl]-2-(chloromethyl)-2-ethylbutan-1-amine
CID 106252231
2-bromo-6-methoxy-4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol
CID 104625173
N-(1H-imidazol-5-ylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625163
4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine
CID 104625005
1-[(3-bromo-5-fluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 114164721
5-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]-2-methylaniline
CID 114125893
5-chloro-2,2-dimethyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine
CID 106140789
N-[(2-bromo-4-methylphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104624998

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine (CID 104857055) is N-[(5-bromo-3-pyridinyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine is COCCC(C)(C)CNCc1cncc(Br)c1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine?
The InChIKey is SNSYIYKZXQTASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-13(2,4-5-17-3)10-16-8-11-6-12(14)9-15-7-11/h6-7,9,16H,4-5,8,10H2,1-3H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine?
N-[(5-bromo-3-pyridinyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine has a molecular weight of 301.23 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 104857055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).