1-(5-bromo-3-pyridinyl)-5-methylhexan-1-amine

C12H19BrN2 — CID 83161704

IUPAC1-(5-bromo-3-pyridinyl)-5-methylhexan-1-amine
SMILESCC(C)CCCC(N)c1cncc(Br)c1
InChIInChI=1S/C12H19BrN2/c1-9(2)4-3-5-12(14)10-6-11(13)8-15-7-10/h6-9,12H,3-5,14H2,1-2H3
InChIKeyNKNCIQKJYQTOAL-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.67
Rot. Bonds5

About 1-(5-bromo-3-pyridinyl)-5-methylhexan-1-amine

1-(5-bromo-3-pyridinyl)-5-methylhexan-1-amine (PubChem CID 83161704) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-5-methylhexan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-5-methylhexan-1-amine
PubChem CID83161704
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name1-(5-bromo-3-pyridinyl)-5-methylhexan-1-amine
SMILESCC(C)CCCC(N)c1cncc(Br)c1
InChIInChI=1S/C12H19BrN2/c1-9(2)4-3-5-12(14)10-6-11(13)8-15-7-10/h6-9,12H,3-5,14H2,1-2H3
InChIKeyNKNCIQKJYQTOAL-UHFFFAOYSA-N
XLogP3.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-5-methylhexan-1-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-5-methylhexan-1-amine (CID 83161704) is 1-(5-bromo-3-pyridinyl)-5-methylhexan-1-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-5-methylhexan-1-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-5-methylhexan-1-amine is CC(C)CCCC(N)c1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-5-methylhexan-1-amine?
The InChIKey is NKNCIQKJYQTOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-9(2)4-3-5-12(14)10-6-11(13)8-15-7-10/h6-9,12H,3-5,14H2,1-2H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-5-methylhexan-1-amine?
1-(5-bromo-3-pyridinyl)-5-methylhexan-1-amine has a molecular weight of 271.20 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-5-methylhexan-1-amine is sourced from PubChem (CID 83161704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).