1-(6-bromo-2-pyridinyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine

C13H17BrN2 — CID 103953751

IUPAC1-(6-bromo-2-pyridinyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine
SMILESBrc1cccc(CNCC2(C3CC3)CC2)n1
InChIInChI=1S/C13H17BrN2/c14-12-3-1-2-11(16-12)8-15-9-13(6-7-13)10-4-5-10/h1-3,10,15H,4-9H2
InChIKeyRNUNFDYFUVVOCJ-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.12
Rot. Bonds5

About 1-(6-bromo-2-pyridinyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine

1-(6-bromo-2-pyridinyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine (PubChem CID 103953751) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine
PubChem CID103953751
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name1-(6-bromo-2-pyridinyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine
SMILESBrc1cccc(CNCC2(C3CC3)CC2)n1
InChIInChI=1S/C13H17BrN2/c14-12-3-1-2-11(16-12)8-15-9-13(6-7-13)10-4-5-10/h1-3,10,15H,4-9H2
InChIKeyRNUNFDYFUVVOCJ-UHFFFAOYSA-N
XLogP3.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.12
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 1-(6-bromo-2-pyridinyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine (CID 103953751) is 1-(6-bromo-2-pyridinyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine is Brc1cccc(CNCC2(C3CC3)CC2)n1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine?
The InChIKey is RNUNFDYFUVVOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c14-12-3-1-2-11(16-12)8-15-9-13(6-7-13)10-4-5-10/h1-3,10,15H,4-9H2.
What are the key properties of 1-(6-bromo-2-pyridinyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine?
1-(6-bromo-2-pyridinyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine has a molecular weight of 281.20 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 103953751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).