N-[(6-bromo-2-pyridinyl)methyl]-4-methylpentan-2-amine

C12H19BrN2 — CID 112581921

IUPACN-[(6-bromo-2-pyridinyl)methyl]-4-methylpentan-2-amine
SMILESCC(C)CC(C)NCc1cccc(Br)n1
InChIInChI=1S/C12H19BrN2/c1-9(2)7-10(3)14-8-11-5-4-6-12(13)15-11/h4-6,9-10,14H,7-8H2,1-3H3
InChIKeyNPBOICQCEKAWKD-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.37
Rot. Bonds5

About N-[(6-bromo-2-pyridinyl)methyl]-4-methylpentan-2-amine

N-[(6-bromo-2-pyridinyl)methyl]-4-methylpentan-2-amine (PubChem CID 112581921) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is N-[(6-bromo-2-pyridinyl)methyl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)methyl]-4-methylpentan-2-amine
PubChem CID112581921
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC NameN-[(6-bromo-2-pyridinyl)methyl]-4-methylpentan-2-amine
SMILESCC(C)CC(C)NCc1cccc(Br)n1
InChIInChI=1S/C12H19BrN2/c1-9(2)7-10(3)14-8-11-5-4-6-12(13)15-11/h4-6,9-10,14H,7-8H2,1-3H3
InChIKeyNPBOICQCEKAWKD-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-4-methylpentan-2-amine?
The IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-4-methylpentan-2-amine (CID 112581921) is N-[(6-bromo-2-pyridinyl)methyl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)methyl]-4-methylpentan-2-amine?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)methyl]-4-methylpentan-2-amine is CC(C)CC(C)NCc1cccc(Br)n1.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)methyl]-4-methylpentan-2-amine?
The InChIKey is NPBOICQCEKAWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-9(2)7-10(3)14-8-11-5-4-6-12(13)15-11/h4-6,9-10,14H,7-8H2,1-3H3.
What are the key properties of N-[(6-bromo-2-pyridinyl)methyl]-4-methylpentan-2-amine?
N-[(6-bromo-2-pyridinyl)methyl]-4-methylpentan-2-amine has a molecular weight of 271.20 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-pyridinyl)methyl]-4-methylpentan-2-amine is sourced from PubChem (CID 112581921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).