N-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine

C10H13BrN2 — CID 146014724

IUPACN-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine
SMILESBrc1ccc(CNC2CCC2)cn1
InChIInChI=1S/C10H13BrN2/c11-10-5-4-8(7-13-10)6-12-9-2-1-3-9/h4-5,7,9,12H,1-3,6H2
InChIKeyYYQFFARSLQHCRP-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.49
Rot. Bonds3

About N-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine

N-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine (PubChem CID 146014724) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is N-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine
PubChem CID146014724
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC NameN-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine
SMILESBrc1ccc(CNC2CCC2)cn1
InChIInChI=1S/C10H13BrN2/c11-10-5-4-8(7-13-10)6-12-9-2-1-3-9/h4-5,7,9,12H,1-3,6H2
InChIKeyYYQFFARSLQHCRP-UHFFFAOYSA-N
XLogP2.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.49
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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Related Compounds

N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine
CID 71636466
(3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71636461
N-[(6-chloro-3-pyridinyl)methyl]cyclohexanamine
CID 59828914
N-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
CID 62755336
N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine
CID 53385515
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride
CID 17289669
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylcycloheptan-1-amine
CID 65081064
(6-bromo-3-pyridinyl)methylhydrazine
CID 53416663
tert-butyl 3-[(6-bromo-3-pyridinyl)methylamino]piperidine-1-carboxylate
CID 71630851
N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
CID 17294485
4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine
CID 65089500

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine?
The IUPAC name of N-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine (CID 146014724) is N-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine?
The canonical SMILES for N-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine is Brc1ccc(CNC2CCC2)cn1.
What is the InChIKey of N-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine?
The InChIKey is YYQFFARSLQHCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c11-10-5-4-8(7-13-10)6-12-9-2-1-3-9/h4-5,7,9,12H,1-3,6H2.
What are the key properties of N-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine?
N-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine has a molecular weight of 241.13 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine is sourced from PubChem (CID 146014724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).