5-(bromomethyl)-N,3-dimethyl-N-(3-methylbutyl)pyridin-2-amine

C13H21BrN2 — CID 107081147

IUPAC5-(bromomethyl)-N,3-dimethyl-N-(3-methylbutyl)pyridin-2-amine
SMILESCc1cc(CBr)cnc1N(C)CCC(C)C
InChIInChI=1S/C13H21BrN2/c1-10(2)5-6-16(4)13-11(3)7-12(8-14)9-15-13/h7,9-10H,5-6,8H2,1-4H3
InChIKeyDRNALVFOUWTWQC-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.77
Rot. Bonds5

About 5-(bromomethyl)-N,3-dimethyl-N-(3-methylbutyl)pyridin-2-amine

5-(bromomethyl)-N,3-dimethyl-N-(3-methylbutyl)pyridin-2-amine (PubChem CID 107081147) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 5-(bromomethyl)-N,3-dimethyl-N-(3-methylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N,3-dimethyl-N-(3-methylbutyl)pyridin-2-amine
PubChem CID107081147
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name5-(bromomethyl)-N,3-dimethyl-N-(3-methylbutyl)pyridin-2-amine
SMILESCc1cc(CBr)cnc1N(C)CCC(C)C
InChIInChI=1S/C13H21BrN2/c1-10(2)5-6-16(4)13-11(3)7-12(8-14)9-15-13/h7,9-10H,5-6,8H2,1-4H3
InChIKeyDRNALVFOUWTWQC-UHFFFAOYSA-N
XLogP3.77
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N,3-dimethyl-N-(3-methylbutyl)pyridin-2-amine?
The IUPAC name of 5-(bromomethyl)-N,3-dimethyl-N-(3-methylbutyl)pyridin-2-amine (CID 107081147) is 5-(bromomethyl)-N,3-dimethyl-N-(3-methylbutyl)pyridin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N,3-dimethyl-N-(3-methylbutyl)pyridin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N,3-dimethyl-N-(3-methylbutyl)pyridin-2-amine is Cc1cc(CBr)cnc1N(C)CCC(C)C.
What is the InChIKey of 5-(bromomethyl)-N,3-dimethyl-N-(3-methylbutyl)pyridin-2-amine?
The InChIKey is DRNALVFOUWTWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-10(2)5-6-16(4)13-11(3)7-12(8-14)9-15-13/h7,9-10H,5-6,8H2,1-4H3.
What are the key properties of 5-(bromomethyl)-N,3-dimethyl-N-(3-methylbutyl)pyridin-2-amine?
5-(bromomethyl)-N,3-dimethyl-N-(3-methylbutyl)pyridin-2-amine has a molecular weight of 285.23 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N,3-dimethyl-N-(3-methylbutyl)pyridin-2-amine is sourced from PubChem (CID 107081147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).