5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine

C14H24BrN3 — CID 55054384

IUPAC5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCN(c1ncc(Br)cc1CNC(C)C)C(C)C
InChIInChI=1S/C14H24BrN3/c1-6-18(11(4)5)14-12(8-16-10(2)3)7-13(15)9-17-14/h7,9-11,16H,6,8H2,1-5H3
InChIKeyPVXODSYHJLYBCW-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.58
Rot. Bonds6

About 5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine

5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 55054384) has the molecular formula C14H24BrN3 and a molecular weight of 314.27 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID55054384
Molecular FormulaC14H24BrN3
Molecular Weight314.27 g/mol
Exact Mass313.12
IUPAC Name5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCN(c1ncc(Br)cc1CNC(C)C)C(C)C
InChIInChI=1S/C14H24BrN3/c1-6-18(11(4)5)14-12(8-16-10(2)3)7-13(15)9-17-14/h7,9-11,16H,6,8H2,1-5H3
InChIKeyPVXODSYHJLYBCW-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 55054384) is 5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine is CCN(c1ncc(Br)cc1CNC(C)C)C(C)C.
What is the InChIKey of 5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is PVXODSYHJLYBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3/c1-6-18(11(4)5)14-12(8-16-10(2)3)7-13(15)9-17-14/h7,9-11,16H,6,8H2,1-5H3.
What are the key properties of 5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 314.27 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 55054384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).