N-[(5-bromo-3-pyridinyl)methyl]-N,2-dimethylpropan-1-amine

C11H17BrN2 — CID 115596591

IUPACN-[(5-bromo-3-pyridinyl)methyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)Cc1cncc(Br)c1
InChIInChI=1S/C11H17BrN2/c1-9(2)7-14(3)8-10-4-11(12)6-13-5-10/h4-6,9H,7-8H2,1-3H3
InChIKeyXWWLVACAPJYVCI-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.93
Rot. Bonds4

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

N-[(5-bromo-3-pyridinyl)methyl]-N,2-dimethylpropan-1-amine (PubChem CID 115596591) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-N,2-dimethylpropan-1-amine
PubChem CID115596591
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)Cc1cncc(Br)c1
InChIInChI=1S/C11H17BrN2/c1-9(2)7-14(3)8-10-4-11(12)6-13-5-10/h4-6,9H,7-8H2,1-3H3
InChIKeyXWWLVACAPJYVCI-UHFFFAOYSA-N
XLogP2.93
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-bromo-3-pyridinyl)methyl-methylamino]-2-methylpropanoic acid
CID 104800316
N'-[(5-bromo-3-pyridinyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 104798126
3-[(5-bromo-3-pyridinyl)methyl-(2-methylpropyl)amino]propanethioamide
CID 104797288
4-[(5-bromo-3-pyridinyl)methyl-methylamino]butanoic acid
CID 115741272
N-[(5-bromo-3-pyridinyl)methyl]-N-ethylsulfanylpropan-2-amine
CID 146229382
3-[(5-bromo-3-pyridinyl)methyl-methylamino]butanethioamide
CID 104797303
1-[5-(5-bromo-3-pyridinyl)-3-pyridinyl]-N,N-dimethylmethanamine
CID 68736734
2-bromo-4-[[methyl(2-methylpropyl)amino]methyl]phenol
CID 82977021
methyl 4-[(5-bromo-3-pyridinyl)methyl-methylamino]butanoate
CID 104810121
5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyridin-3-amine
CID 115657240
N-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine
CID 104796938
N-(2-bromoethyl)-N-[(5-bromo-3-pyridinyl)methyl]-2,2-difluoroethanamine
CID 107487738

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-N,2-dimethylpropan-1-amine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-N,2-dimethylpropan-1-amine (CID 115596591) is N-[(5-bromo-3-pyridinyl)methyl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-N,2-dimethylpropan-1-amine is CC(C)CN(C)Cc1cncc(Br)c1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-N,2-dimethylpropan-1-amine?
The InChIKey is XWWLVACAPJYVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-9(2)7-14(3)8-10-4-11(12)6-13-5-10/h4-6,9H,7-8H2,1-3H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-N,2-dimethylpropan-1-amine?
N-[(5-bromo-3-pyridinyl)methyl]-N,2-dimethylpropan-1-amine has a molecular weight of 257.17 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)methyl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 115596591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).