N-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine

C13H21BrN2 — CID 104796938

IUPACN-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCc1cncc(Br)c1
InChIInChI=1S/C13H21BrN2/c1-10(2)4-5-11(3)16-8-12-6-13(14)9-15-7-12/h6-7,9-11,16H,4-5,8H2,1-3H3
InChIKeyTVNLPGGNJCOIBO-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.76
Rot. Bonds6

About N-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine

N-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine (PubChem CID 104796938) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine
PubChem CID104796938
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCc1cncc(Br)c1
InChIInChI=1S/C13H21BrN2/c1-10(2)4-5-11(3)16-8-12-6-13(14)9-15-7-12/h6-7,9-11,16H,4-5,8H2,1-3H3
InChIKeyTVNLPGGNJCOIBO-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[(5-bromo-3-pyridinyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 104796826
2-N-[(5-bromo-3-pyridinyl)methyl]-1-N-tert-butylpropane-1,2-diamine
CID 113407504
N-[(5-bromo-3-pyridinyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 104796828
N-[(5-bromo-3-pyridinyl)methyl]-1-chloro-4-methylpentan-3-amine
CID 106353932
5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine
CID 104811963
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 115580893
N-[(5-bromo-3-pyridinyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 113454136
(1R)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580046
(1S)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580020
(1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine
CID 104797063
5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
CID 60628143
1-(5-bromo-3-pyridinyl)propan-2-ylhydrazine
CID 105201192

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine (CID 104796938) is N-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine is CC(C)CCC(C)NCc1cncc(Br)c1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine?
The InChIKey is TVNLPGGNJCOIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-10(2)4-5-11(3)16-8-12-6-13(14)9-15-7-12/h6-7,9-11,16H,4-5,8H2,1-3H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine?
N-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine has a molecular weight of 285.23 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine is sourced from PubChem (CID 104796938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).