6-bromo-N-(4,4-dimethylcycloheptyl)pyridin-3-amine

C14H21BrN2 — CID 114051596

IUPAC6-bromo-N-(4,4-dimethylcycloheptyl)pyridin-3-amine
SMILESCC1(C)CCCC(Nc2ccc(Br)nc2)CC1
InChIInChI=1S/C14H21BrN2/c1-14(2)8-3-4-11(7-9-14)17-12-5-6-13(15)16-10-12/h5-6,10-11,17H,3-4,7-9H2,1-2H3
InChIKeyULVVFRYDUXZRGU-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.61
Rot. Bonds2

About 6-bromo-N-(4,4-dimethylcycloheptyl)pyridin-3-amine

6-bromo-N-(4,4-dimethylcycloheptyl)pyridin-3-amine (PubChem CID 114051596) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 6-bromo-N-(4,4-dimethylcycloheptyl)pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-(4,4-dimethylcycloheptyl)pyridin-3-amine
PubChem CID114051596
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name6-bromo-N-(4,4-dimethylcycloheptyl)pyridin-3-amine
SMILESCC1(C)CCCC(Nc2ccc(Br)nc2)CC1
InChIInChI=1S/C14H21BrN2/c1-14(2)8-3-4-11(7-9-14)17-12-5-6-13(15)16-10-12/h5-6,10-11,17H,3-4,7-9H2,1-2H3
InChIKeyULVVFRYDUXZRGU-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.61
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-(4,4-dimethylcycloheptyl)pyridin-3-amine?
The IUPAC name of 6-bromo-N-(4,4-dimethylcycloheptyl)pyridin-3-amine (CID 114051596) is 6-bromo-N-(4,4-dimethylcycloheptyl)pyridin-3-amine.
What is the SMILES notation for 6-bromo-N-(4,4-dimethylcycloheptyl)pyridin-3-amine?
The canonical SMILES for 6-bromo-N-(4,4-dimethylcycloheptyl)pyridin-3-amine is CC1(C)CCCC(Nc2ccc(Br)nc2)CC1.
What is the InChIKey of 6-bromo-N-(4,4-dimethylcycloheptyl)pyridin-3-amine?
The InChIKey is ULVVFRYDUXZRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-14(2)8-3-4-11(7-9-14)17-12-5-6-13(15)16-10-12/h5-6,10-11,17H,3-4,7-9H2,1-2H3.
What are the key properties of 6-bromo-N-(4,4-dimethylcycloheptyl)pyridin-3-amine?
6-bromo-N-(4,4-dimethylcycloheptyl)pyridin-3-amine has a molecular weight of 297.24 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4,4-dimethylcycloheptyl)pyridin-3-amine is sourced from PubChem (CID 114051596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).