5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine

C13H19BrN2 — CID 78974449

IUPAC5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
SMILESCC(C)CCN(c1ccc(Br)cn1)C1CC1
InChIInChI=1S/C13H19BrN2/c1-10(2)7-8-16(12-4-5-12)13-6-3-11(14)9-15-13/h3,6,9-10,12H,4-5,7-8H2,1-2H3
InChIKeyXMPGOQXAXKUYFK-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.86
Rot. Bonds5

About 5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine

5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine (PubChem CID 78974449) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
PubChem CID78974449
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
SMILESCC(C)CCN(c1ccc(Br)cn1)C1CC1
InChIInChI=1S/C13H19BrN2/c1-10(2)7-8-16(12-4-5-12)13-6-3-11(14)9-15-13/h3,6,9-10,12H,4-5,7-8H2,1-2H3
InChIKeyXMPGOQXAXKUYFK-UHFFFAOYSA-N
XLogP3.86
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine (CID 78974449) is 5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine is CC(C)CCN(c1ccc(Br)cn1)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine?
The InChIKey is XMPGOQXAXKUYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10(2)7-8-16(12-4-5-12)13-6-3-11(14)9-15-13/h3,6,9-10,12H,4-5,7-8H2,1-2H3.
What are the key properties of 5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine?
5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine has a molecular weight of 283.21 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine is sourced from PubChem (CID 78974449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).