N-(2-bromopropyl)-N,4-dimethylpyridin-2-amine

C10H15BrN2 — CID 80670331

IUPACN-(2-bromopropyl)-N,4-dimethylpyridin-2-amine
SMILESCc1ccnc(N(C)CC(C)Br)c1
InChIInChI=1S/C10H15BrN2/c1-8-4-5-12-10(6-8)13(3)7-9(2)11/h4-6,9H,7H2,1-3H3
InChIKeyRCEQXQSOQFUZDD-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.61
Rot. Bonds3

About N-(2-bromopropyl)-N,4-dimethylpyridin-2-amine

N-(2-bromopropyl)-N,4-dimethylpyridin-2-amine (PubChem CID 80670331) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is N-(2-bromopropyl)-N,4-dimethylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromopropyl)-N,4-dimethylpyridin-2-amine
PubChem CID80670331
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC NameN-(2-bromopropyl)-N,4-dimethylpyridin-2-amine
SMILESCc1ccnc(N(C)CC(C)Br)c1
InChIInChI=1S/C10H15BrN2/c1-8-4-5-12-10(6-8)13(3)7-9(2)11/h4-6,9H,7H2,1-3H3
InChIKeyRCEQXQSOQFUZDD-UHFFFAOYSA-N
XLogP2.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.61
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 N-(2-bromopropyl)-N,4-dimethylpyridin-2-amine?
The IUPAC name of N-(2-bromopropyl)-N,4-dimethylpyridin-2-amine (CID 80670331) is N-(2-bromopropyl)-N,4-dimethylpyridin-2-amine.
What is the SMILES notation for N-(2-bromopropyl)-N,4-dimethylpyridin-2-amine?
The canonical SMILES for N-(2-bromopropyl)-N,4-dimethylpyridin-2-amine is Cc1ccnc(N(C)CC(C)Br)c1.
What is the InChIKey of N-(2-bromopropyl)-N,4-dimethylpyridin-2-amine?
The InChIKey is RCEQXQSOQFUZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-8-4-5-12-10(6-8)13(3)7-9(2)11/h4-6,9H,7H2,1-3H3.
What are the key properties of N-(2-bromopropyl)-N,4-dimethylpyridin-2-amine?
N-(2-bromopropyl)-N,4-dimethylpyridin-2-amine has a molecular weight of 243.15 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-N,4-dimethylpyridin-2-amine is sourced from PubChem (CID 80670331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).