6-bromo-N-[(1-methylcyclobutyl)methyl]pyridin-3-amine

C11H15BrN2 — CID 130918006

IUPAC6-bromo-N-[(1-methylcyclobutyl)methyl]pyridin-3-amine
SMILESCC1(CNc2ccc(Br)nc2)CCC1
InChIInChI=1S/C11H15BrN2/c1-11(5-2-6-11)8-14-9-3-4-10(12)13-7-9/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyKKBAXEXMTCTNOV-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.45
Rot. Bonds3

About 6-bromo-N-[(1-methylcyclobutyl)methyl]pyridin-3-amine

6-bromo-N-[(1-methylcyclobutyl)methyl]pyridin-3-amine (PubChem CID 130918006) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 6-bromo-N-[(1-methylcyclobutyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-[(1-methylcyclobutyl)methyl]pyridin-3-amine
PubChem CID130918006
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name6-bromo-N-[(1-methylcyclobutyl)methyl]pyridin-3-amine
SMILESCC1(CNc2ccc(Br)nc2)CCC1
InChIInChI=1S/C11H15BrN2/c1-11(5-2-6-11)8-14-9-3-4-10(12)13-7-9/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyKKBAXEXMTCTNOV-UHFFFAOYSA-N
XLogP3.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.45
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 6-bromo-N-[(1-methylcyclobutyl)methyl]pyridin-3-amine?
The IUPAC name of 6-bromo-N-[(1-methylcyclobutyl)methyl]pyridin-3-amine (CID 130918006) is 6-bromo-N-[(1-methylcyclobutyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-bromo-N-[(1-methylcyclobutyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-bromo-N-[(1-methylcyclobutyl)methyl]pyridin-3-amine is CC1(CNc2ccc(Br)nc2)CCC1.
What is the InChIKey of 6-bromo-N-[(1-methylcyclobutyl)methyl]pyridin-3-amine?
The InChIKey is KKBAXEXMTCTNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-11(5-2-6-11)8-14-9-3-4-10(12)13-7-9/h3-4,7,14H,2,5-6,8H2,1H3.
What are the key properties of 6-bromo-N-[(1-methylcyclobutyl)methyl]pyridin-3-amine?
6-bromo-N-[(1-methylcyclobutyl)methyl]pyridin-3-amine has a molecular weight of 255.16 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1-methylcyclobutyl)methyl]pyridin-3-amine is sourced from PubChem (CID 130918006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).