5-bromo-3-(chloromethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine

C14H22BrClN2 — CID 63446077

IUPAC5-bromo-3-(chloromethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine
SMILESCCCCCN(c1ncc(Br)cc1CCl)C(C)C
InChIInChI=1S/C14H22BrClN2/c1-4-5-6-7-18(11(2)3)14-12(9-16)8-13(15)10-17-14/h8,10-11H,4-7,9H2,1-3H3
InChIKeyUGAYZXFOSDUFRH-UHFFFAOYSA-N
MW333.70 g/mol
LogP4.99
Rot. Bonds7

About 5-bromo-3-(chloromethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine

5-bromo-3-(chloromethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine (PubChem CID 63446077) has the molecular formula C14H22BrClN2 and a molecular weight of 333.70 g/mol. Its IUPAC name is 5-bromo-3-(chloromethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(chloromethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine
PubChem CID63446077
Molecular FormulaC14H22BrClN2
Molecular Weight333.70 g/mol
Exact Mass332.07
IUPAC Name5-bromo-3-(chloromethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine
SMILESCCCCCN(c1ncc(Br)cc1CCl)C(C)C
InChIInChI=1S/C14H22BrClN2/c1-4-5-6-7-18(11(2)3)14-12(9-16)8-13(15)10-17-14/h8,10-11H,4-7,9H2,1-3H3
InChIKeyUGAYZXFOSDUFRH-UHFFFAOYSA-N
XLogP4.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.70
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(chloromethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-bromo-3-(chloromethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine (CID 63446077) is 5-bromo-3-(chloromethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(chloromethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-(chloromethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine is CCCCCN(c1ncc(Br)cc1CCl)C(C)C.
What is the InChIKey of 5-bromo-3-(chloromethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine?
The InChIKey is UGAYZXFOSDUFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrClN2/c1-4-5-6-7-18(11(2)3)14-12(9-16)8-13(15)10-17-14/h8,10-11H,4-7,9H2,1-3H3.
What are the key properties of 5-bromo-3-(chloromethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine?
5-bromo-3-(chloromethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine has a molecular weight of 333.70 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(chloromethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 63446077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).